N-[3-(1-methoxycyclopropyl)-1-[3-(3-methoxyphenyl)propanoyl]azetidin-3-yl]cyclopentanecarboxamide

C23H32N2O4 — CID 154578896

IUPACN-[3-(1-methoxycyclopropyl)-1-[3-(3-methoxyphenyl)propanoyl]azetidin-3-yl]cyclopentanecarboxamide
SMILESCOc1cccc(CCC(=O)N2CC(NC(=O)C3CCCC3)(C3(OC)CC3)C2)c1
InChIInChI=1S/C23H32N2O4/c1-28-19-9-5-6-17(14-19)10-11-20(26)25-15-22(16-25,23(29-2)12-13-23)24-21(27)18-7-3-4-8-18/h5-6,9,14,18H,3-4,7-8,10-13,15-16H2,1-2H3,(H,24,27)
InChIKeyVEJQGOQUFZKEHN-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.69
Rot. Bonds8

About N-[3-(1-methoxycyclopropyl)-1-[3-(3-methoxyphenyl)propanoyl]azetidin-3-yl]cyclopentanecarboxamide

N-[3-(1-methoxycyclopropyl)-1-[3-(3-methoxyphenyl)propanoyl]azetidin-3-yl]cyclopentanecarboxamide (PubChem CID 154578896) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[3-(1-methoxycyclopropyl)-1-[3-(3-methoxyphenyl)propanoyl]azetidin-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-(1-methoxycyclopropyl)-1-[3-(3-methoxyphenyl)propanoyl]azetidin-3-yl]cyclopentanecarboxamide
PubChem CID154578896
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC NameN-[3-(1-methoxycyclopropyl)-1-[3-(3-methoxyphenyl)propanoyl]azetidin-3-yl]cyclopentanecarboxamide
SMILESCOc1cccc(CCC(=O)N2CC(NC(=O)C3CCCC3)(C3(OC)CC3)C2)c1
InChIInChI=1S/C23H32N2O4/c1-28-19-9-5-6-17(14-19)10-11-20(26)25-15-22(16-25,23(29-2)12-13-23)24-21(27)18-7-3-4-8-18/h5-6,9,14,18H,3-4,7-8,10-13,15-16H2,1-2H3,(H,24,27)
InChIKeyVEJQGOQUFZKEHN-UHFFFAOYSA-N
XLogP2.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide
CID 110822113
3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
CID 112536925
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 79410444
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 119412755
1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 113004717
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110396864
1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 70735997
3-(3-methoxyphenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one
CID 112534338
1-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110721211
1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 124628214
1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methoxycyclopropyl)-1-[3-(3-methoxyphenyl)propanoyl]azetidin-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[3-(1-methoxycyclopropyl)-1-[3-(3-methoxyphenyl)propanoyl]azetidin-3-yl]cyclopentanecarboxamide (CID 154578896) is N-[3-(1-methoxycyclopropyl)-1-[3-(3-methoxyphenyl)propanoyl]azetidin-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-(1-methoxycyclopropyl)-1-[3-(3-methoxyphenyl)propanoyl]azetidin-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-(1-methoxycyclopropyl)-1-[3-(3-methoxyphenyl)propanoyl]azetidin-3-yl]cyclopentanecarboxamide is COc1cccc(CCC(=O)N2CC(NC(=O)C3CCCC3)(C3(OC)CC3)C2)c1.
What is the InChIKey of N-[3-(1-methoxycyclopropyl)-1-[3-(3-methoxyphenyl)propanoyl]azetidin-3-yl]cyclopentanecarboxamide?
The InChIKey is VEJQGOQUFZKEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-28-19-9-5-6-17(14-19)10-11-20(26)25-15-22(16-25,23(29-2)12-13-23)24-21(27)18-7-3-4-8-18/h5-6,9,14,18H,3-4,7-8,10-13,15-16H2,1-2H3,(H,24,27).
What are the key properties of N-[3-(1-methoxycyclopropyl)-1-[3-(3-methoxyphenyl)propanoyl]azetidin-3-yl]cyclopentanecarboxamide?
N-[3-(1-methoxycyclopropyl)-1-[3-(3-methoxyphenyl)propanoyl]azetidin-3-yl]cyclopentanecarboxamide has a molecular weight of 400.52 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methoxycyclopropyl)-1-[3-(3-methoxyphenyl)propanoyl]azetidin-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 154578896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).