N-[1-[3-(cyclopropylmethyl)-3-phenylazetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide;2-hydroxy-3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-[3-(2-methylphenyl)-3-propoxyazetidin-1-yl]-1-oxopropan-2-yl]propanamide

C58H70N8O8 — CID 135285074

IUPACN-[1-[3-(cyclopropylmethyl)-3-phenylazetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide;2-hydroxy-3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-[3-(2-methylphenyl)-3-propoxyazetidin-1-yl]-1-oxopropan-2-yl]propanamide
SMILESCCCOC1(c2ccccc2C)CN(C(=O)C(Cc2ccc(OC)cc2)NC(=O)C(O)Cc2cnc[nH]2)C1.COc1ccc(CC(NC(=O)CCc2cnc[nH]2)C(=O)N2CC(CC3CC3)(c3ccccc3)C2)cc1
InChIInChI=1S/C29H36N4O5.C29H34N4O3/c1-4-13-38-29(24-8-6-5-7-20(24)2)17-33(18-29)28(36)25(14-21-9-11-23(37-3)12-10-21)32-27(35)26(34)15-22-16-30-19-31-22;1-36-25-12-9-21(10-13-25)15-26(32-27(34)14-11-24-17-30-20-31-24)28(35)33-18-29(19-33,16-22-7-8-22)23-5-3-2-4-6-23/h5-12,16,19,25-26,34H,4,13-15,17-18H2,1-3H3,(H,30,31)(H,32,35);2-6,9-10,12-13,17,20,22,26H,7-8,11,14-16,18-19H2,1H3,(H,30,31)(H,32,34)
InChIKeySYVWDKKEHMYRLK-UHFFFAOYSA-N
MW1007.25 g/mol
LogP6.18
Rot. Bonds23

About N-[1-[3-(cyclopropylmethyl)-3-phenylazetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide;2-hydroxy-3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-[3-(2-methylphenyl)-3-propoxyazetidin-1-yl]-1-oxopropan-2-yl]propanamide

N-[1-[3-(cyclopropylmethyl)-3-phenylazetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide;2-hydroxy-3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-[3-(2-methylphenyl)-3-propoxyazetidin-1-yl]-1-oxopropan-2-yl]propanamide (PubChem CID 135285074) has the molecular formula C58H70N8O8 and a molecular weight of 1007.25 g/mol. Its IUPAC name is N-[1-[3-(cyclopropylmethyl)-3-phenylazetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide;2-hydroxy-3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-[3-(2-methylphenyl)-3-propoxyazetidin-1-yl]-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound NameN-[1-[3-(cyclopropylmethyl)-3-phenylazetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide;2-hydroxy-3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-[3-(2-methylphenyl)-3-propoxyazetidin-1-yl]-1-oxopropan-2-yl]propanamide
PubChem CID135285074
Molecular FormulaC58H70N8O8
Molecular Weight1007.25 g/mol
Exact Mass1006.53
IUPAC NameN-[1-[3-(cyclopropylmethyl)-3-phenylazetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide;2-hydroxy-3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-[3-(2-methylphenyl)-3-propoxyazetidin-1-yl]-1-oxopropan-2-yl]propanamide
SMILESCCCOC1(c2ccccc2C)CN(C(=O)C(Cc2ccc(OC)cc2)NC(=O)C(O)Cc2cnc[nH]2)C1.COc1ccc(CC(NC(=O)CCc2cnc[nH]2)C(=O)N2CC(CC3CC3)(c3ccccc3)C2)cc1
InChIInChI=1S/C29H36N4O5.C29H34N4O3/c1-4-13-38-29(24-8-6-5-7-20(24)2)17-33(18-29)28(36)25(14-21-9-11-23(37-3)12-10-21)32-27(35)26(34)15-22-16-30-19-31-22;1-36-25-12-9-21(10-13-25)15-26(32-27(34)14-11-24-17-30-20-31-24)28(35)33-18-29(19-33,16-22-7-8-22)23-5-3-2-4-6-23/h5-12,16,19,25-26,34H,4,13-15,17-18H2,1-3H3,(H,30,31)(H,32,35);2-6,9-10,12-13,17,20,22,26H,7-8,11,14-16,18-19H2,1H3,(H,30,31)(H,32,34)
InChIKeySYVWDKKEHMYRLK-UHFFFAOYSA-N
XLogP6.18
TPSA204.10 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001007.25
LogP ≤ 56.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze N-[1-[3-(cyclopropylmethyl)-3-phenylazetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide;2-hydroxy-3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-[3-(2-methylphenyl)-3-propoxyazetidin-1-yl]-1-oxopropan-2-yl]propanamide with MolForge

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Related Compounds

2-hydroxy-3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-[3-(2-methylphenyl)-3-propoxyazetidin-1-yl]-1-oxopropan-2-yl]propanamide
CID 66988138
N-[(2R)-1-(3-butoxy-3-phenylazetidin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide;N-[(2R)-1-[3-ethoxy-3-(2-methylphenyl)azetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide
CID 87344956
3-(1H-imidazol-5-yl)-N-[(2R)-3-(4-methoxyphenyl)-1-[3-(2-methylphenyl)-3-pentylazetidin-1-yl]-1-oxopropan-2-yl]propanamide
CID 46195442
N-[(2R)-1-[3-butoxy-3-(4-fluorophenyl)azetidin-1-yl]-3-(3-fluorophenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide;N-[(2R)-1-(3-butyl-3-phenylazetidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide
CID 87345136
N-[(2R)-1-[3-(3-fluorophenyl)-3-propylazetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide
CID 138403865
N-[1-[3-butoxy-3-(2-methylphenyl)azetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
CID 90729491
N-[1-[3-butoxy-3-(2-methylphenyl)azetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1-methylimidazol-4-yl)propanamide
CID 75169622
N-[(2R)-1-[3-butoxy-3-(2-methylphenyl)azetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(triazolidin-4-yl)propanamide
CID 138403861
(3S)-4-[3-(cyclopropylmethoxy)-3-(2-methylphenyl)azetidin-1-yl]-2-(1H-imidazol-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-4-oxobutanamide
CID 140657897
(3R)-4-[3-ethoxy-3-(2-methylphenyl)azetidin-1-yl]-2-(1H-imidazol-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-4-oxobutanamide
CID 140657928
N-[3-(2-fluorophenyl)-1-oxo-1-(3-pentyl-3-phenylazetidin-1-yl)propan-2-yl]-3-(1H-imidazol-5-yl)propanamide
CID 75170276
N-[(2R)-1-(3-cyclobutyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide
CID 58357906

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(cyclopropylmethyl)-3-phenylazetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide;2-hydroxy-3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-[3-(2-methylphenyl)-3-propoxyazetidin-1-yl]-1-oxopropan-2-yl]propanamide?
The IUPAC name of N-[1-[3-(cyclopropylmethyl)-3-phenylazetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide;2-hydroxy-3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-[3-(2-methylphenyl)-3-propoxyazetidin-1-yl]-1-oxopropan-2-yl]propanamide (CID 135285074) is N-[1-[3-(cyclopropylmethyl)-3-phenylazetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide;2-hydroxy-3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-[3-(2-methylphenyl)-3-propoxyazetidin-1-yl]-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for N-[1-[3-(cyclopropylmethyl)-3-phenylazetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide;2-hydroxy-3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-[3-(2-methylphenyl)-3-propoxyazetidin-1-yl]-1-oxopropan-2-yl]propanamide?
The canonical SMILES for N-[1-[3-(cyclopropylmethyl)-3-phenylazetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide;2-hydroxy-3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-[3-(2-methylphenyl)-3-propoxyazetidin-1-yl]-1-oxopropan-2-yl]propanamide is CCCOC1(c2ccccc2C)CN(C(=O)C(Cc2ccc(OC)cc2)NC(=O)C(O)Cc2cnc[nH]2)C1.COc1ccc(CC(NC(=O)CCc2cnc[nH]2)C(=O)N2CC(CC3CC3)(c3ccccc3)C2)cc1.
What is the InChIKey of N-[1-[3-(cyclopropylmethyl)-3-phenylazetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide;2-hydroxy-3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-[3-(2-methylphenyl)-3-propoxyazetidin-1-yl]-1-oxopropan-2-yl]propanamide?
The InChIKey is SYVWDKKEHMYRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O5.C29H34N4O3/c1-4-13-38-29(24-8-6-5-7-20(24)2)17-33(18-29)28(36)25(14-21-9-11-23(37-3)12-10-21)32-27(35)26(34)15-22-16-30-19-31-22;1-36-25-12-9-21(10-13-25)15-26(32-27(34)14-11-24-17-30-20-31-24)28(35)33-18-29(19-33,16-22-7-8-22)23-5-3-2-4-6-23/h5-12,16,19,25-26,34H,4,13-15,17-18H2,1-3H3,(H,30,31)(H,32,35);2-6,9-10,12-13,17,20,22,26H,7-8,11,14-16,18-19H2,1H3,(H,30,31)(H,32,34).
What are the key properties of N-[1-[3-(cyclopropylmethyl)-3-phenylazetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide;2-hydroxy-3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-[3-(2-methylphenyl)-3-propoxyazetidin-1-yl]-1-oxopropan-2-yl]propanamide?
N-[1-[3-(cyclopropylmethyl)-3-phenylazetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide;2-hydroxy-3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-[3-(2-methylphenyl)-3-propoxyazetidin-1-yl]-1-oxopropan-2-yl]propanamide has a molecular weight of 1007.25 g/mol, XLogP of 6.18, 23 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(cyclopropylmethyl)-3-phenylazetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide;2-hydroxy-3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-[3-(2-methylphenyl)-3-propoxyazetidin-1-yl]-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 135285074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).