N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide

C20H22N2O2 — CID 40790954

IUPACN-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide
SMILESC[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-14(15-5-3-2-4-6-15)13-19(23)21-17-9-11-18(12-10-17)22-20(24)16-7-8-16/h2-6,9-12,14,16H,7-8,13H2,1H3,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyHORDQZLXTGAYCE-AWEZNQCLSA-N
MW322.41 g/mol
LogP4.17
Rot. Bonds6

About N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide

N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 40790954) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID40790954
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide
SMILESC[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-14(15-5-3-2-4-6-15)13-19(23)21-17-9-11-18(12-10-17)22-20(24)16-7-8-16/h2-6,9-12,14,16H,7-8,13H2,1H3,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyHORDQZLXTGAYCE-AWEZNQCLSA-N
XLogP4.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989
(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
CID 7925945
(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720
N-(4-cyclopentylsulfonylphenyl)-3-phenylbutanamide
CID 42957046
2-methyl-3-[4-(3-phenylbutanoylamino)phenyl]propanoic acid
CID 120540601
3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 110622812
N-[4-[3-(ethylamino)butanoylamino]phenyl]cyclopropanecarboxamide
CID 62839619
N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide
CID 8698353
3-[4-(cyclopropanecarbonylamino)anilino]-3-oxopropanoic acid
CID 62232243
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[4-(4-hydroxypentanoylamino)phenyl]cyclopropanecarboxamide
CID 79193207

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide (CID 40790954) is N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide is C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is HORDQZLXTGAYCE-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14(15-5-3-2-4-6-15)13-19(23)21-17-9-11-18(12-10-17)22-20(24)16-7-8-16/h2-6,9-12,14,16H,7-8,13H2,1H3,(H,21,23)(H,22,24)/t14-/m0/s1.
What are the key properties of N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide?
N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 322.41 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 40790954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).