N-[3-[[3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]phenyl]cyclopropanecarboxamide

C19H25N3O3 — CID 47088898

IUPACN-[3-[[3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]phenyl]cyclopropanecarboxamide
SMILESCC(C)C(C(=O)Nc1cccc(NC(=O)C2CC2)c1)N1CCCC1=O
InChIInChI=1S/C19H25N3O3/c1-12(2)17(22-10-4-7-16(22)23)19(25)21-15-6-3-5-14(11-15)20-18(24)13-8-9-13/h3,5-6,11-13,17H,4,7-10H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyBRQZMDBTBBROPQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.62
Rot. Bonds6

About N-[3-[[3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]phenyl]cyclopropanecarboxamide

N-[3-[[3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 47088898) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[3-[[3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID47088898
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[3-[[3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]phenyl]cyclopropanecarboxamide
SMILESCC(C)C(C(=O)Nc1cccc(NC(=O)C2CC2)c1)N1CCCC1=O
InChIInChI=1S/C19H25N3O3/c1-12(2)17(22-10-4-7-16(22)23)19(25)21-15-6-3-5-14(11-15)20-18(24)13-8-9-13/h3,5-6,11-13,17H,4,7-10H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyBRQZMDBTBBROPQ-UHFFFAOYSA-N
XLogP2.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-prop-2-ynoxyphenyl)butanamide
CID 95616837
N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
N-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 95352627
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 119465925
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942
N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 62726652
N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 79201789
N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 60620056
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-ylbutanamide
CID 119389775
N-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 43201742
N-[1-oxo-1-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]propan-2-yl]cyclopentanecarboxamide
CID 51119825
methyl 2-[3-(cyclopropanecarbonylamino)anilino]propanoate
CID 66173088

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]phenyl]cyclopropanecarboxamide (CID 47088898) is N-[3-[[3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]phenyl]cyclopropanecarboxamide is CC(C)C(C(=O)Nc1cccc(NC(=O)C2CC2)c1)N1CCCC1=O.
What is the InChIKey of N-[3-[[3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is BRQZMDBTBBROPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12(2)17(22-10-4-7-16(22)23)19(25)21-15-6-3-5-14(11-15)20-18(24)13-8-9-13/h3,5-6,11-13,17H,4,7-10H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N-[3-[[3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]phenyl]cyclopropanecarboxamide?
N-[3-[[3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 47088898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).