(3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C25H29N3O3 — CID 92898745

IUPAC(3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(NC(=O)C4CCC4)c3)C2)c1
InChIInChI=1S/C25H29N3O3/c1-16(2)18-8-4-9-20(12-18)26-25(31)19-13-23(29)28(15-19)22-11-5-10-21(14-22)27-24(30)17-6-3-7-17/h4-5,8-12,14,16-17,19H,3,6-7,13,15H2,1-2H3,(H,26,31)(H,27,30)/t19-/m0/s1
InChIKeyCVRFNKKYPVUWBI-IBGZPJMESA-N
MW419.53 g/mol
LogP4.54
Rot. Bonds6

About (3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

(3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 92898745) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is (3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID92898745
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name(3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(NC(=O)C4CCC4)c3)C2)c1
InChIInChI=1S/C25H29N3O3/c1-16(2)18-8-4-9-20(12-18)26-25(31)19-13-23(29)28(15-19)22-11-5-10-21(14-22)27-24(30)17-6-3-7-17/h4-5,8-12,14,16-17,19H,3,6-7,13,15H2,1-2H3,(H,26,31)(H,27,30)/t19-/m0/s1
InChIKeyCVRFNKKYPVUWBI-IBGZPJMESA-N
XLogP4.54
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 92898741
(3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 30785844
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 55711817
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42999603
N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189064
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43054423
1-[3-(cyclobutanecarbonylamino)phenyl]-N-[1-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 50838144
N-(6-methyl-2-pyridinyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42947153
N-(5-acetamido-2-fluorophenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42947590
N-(3-acetamido-2-methylphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42947581
1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46420018
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 92898745) is (3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(C)c1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(NC(=O)C4CCC4)c3)C2)c1.
What is the InChIKey of (3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is CVRFNKKYPVUWBI-IBGZPJMESA-N. The full InChI is InChI=1S/C25H29N3O3/c1-16(2)18-8-4-9-20(12-18)26-25(31)19-13-23(29)28(15-19)22-11-5-10-21(14-22)27-24(30)17-6-3-7-17/h4-5,8-12,14,16-17,19H,3,6-7,13,15H2,1-2H3,(H,26,31)(H,27,30)/t19-/m0/s1.
What are the key properties of (3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
(3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 92898745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).