(3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C25H29N3O3 — CID 38609347

IUPAC(3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CN2C[C@H](C(=O)N[C@H](C)c3ccc(NC(=O)C4CC4)cc3)CC2=O)cc1
InChIInChI=1S/C25H29N3O3/c1-16-3-5-18(6-4-16)14-28-15-21(13-23(28)29)25(31)26-17(2)19-9-11-22(12-10-19)27-24(30)20-7-8-20/h3-6,9-12,17,20-21H,7-8,13-15H2,1-2H3,(H,26,31)(H,27,30)/t17-,21-/m1/s1
InChIKeyAXIPLYDLJSZIFI-DYESRHJHSA-N
MW419.53 g/mol
LogP3.57
Rot. Bonds7

About (3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 38609347) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID38609347
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name(3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CN2C[C@H](C(=O)N[C@H](C)c3ccc(NC(=O)C4CC4)cc3)CC2=O)cc1
InChIInChI=1S/C25H29N3O3/c1-16-3-5-18(6-4-16)14-28-15-21(13-23(28)29)25(31)26-17(2)19-9-11-22(12-10-19)27-24(30)20-7-8-20/h3-6,9-12,17,20-21H,7-8,13-15H2,1-2H3,(H,26,31)(H,27,30)/t17-,21-/m1/s1
InChIKeyAXIPLYDLJSZIFI-DYESRHJHSA-N
XLogP3.57
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7733138
(3S)-1-[(4-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017840
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51064472
(3S)-1-[(4-methylphenyl)methyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 7409309
ethyl 4-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8885474
(3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 93017883
1-[(4-methylphenyl)methyl]-5-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 112763936
(2S)-3-methyl-2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 119359431
(3R)-N-[4-(dimethylsulfamoyl)phenyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9494959
N-[1-(4-methylphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 55577189
(3S)-N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95313891
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 38609347) is (3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(CN2C[C@H](C(=O)N[C@H](C)c3ccc(NC(=O)C4CC4)cc3)CC2=O)cc1.
What is the InChIKey of (3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AXIPLYDLJSZIFI-DYESRHJHSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-16-3-5-18(6-4-16)14-28-15-21(13-23(28)29)25(31)26-17(2)19-9-11-22(12-10-19)27-24(30)20-7-8-20/h3-6,9-12,17,20-21H,7-8,13-15H2,1-2H3,(H,26,31)(H,27,30)/t17-,21-/m1/s1.
What are the key properties of (3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 38609347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).