N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide

C19H21N3O2 — CID 119276864

IUPACN-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide
SMILESN[C@@H](Cc1ccccc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H21N3O2/c20-17(12-13-4-2-1-3-5-13)19(24)22-16-10-8-15(9-11-16)21-18(23)14-6-7-14/h1-5,8-11,14,17H,6-7,12,20H2,(H,21,23)(H,22,24)/t17-/m0/s1
InChIKeyKJQLTDRQPSCJJZ-KRWDZBQOSA-N
MW323.40 g/mol
LogP2.54
Rot. Bonds6

About N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide

N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 119276864) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID119276864
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide
SMILESN[C@@H](Cc1ccccc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H21N3O2/c20-17(12-13-4-2-1-3-5-13)19(24)22-16-10-8-15(9-11-16)21-18(23)14-6-7-14/h1-5,8-11,14,17H,6-7,12,20H2,(H,21,23)(H,22,24)/t17-/m0/s1
InChIKeyKJQLTDRQPSCJJZ-KRWDZBQOSA-N
XLogP2.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide
CID 28976654
4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid
CID 22161473
N-[5-[(2-amino-3-phenylpropanoyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 119282883
N-[5-[(2-amino-3-phenylpropanoyl)amino]-2-fluorophenyl]cyclohexanecarboxamide;hydrochloride
CID 119282882
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoic acid;hydrochloride
CID 175395798
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide
CID 14837119
4-[(2-amino-3-phenylpropanoyl)amino]-N-cyclopropylbenzamide;hydrochloride
CID 119276041
1-(2-amino-3-phenylpropanoyl)-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 119272890
N-[4-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252642
(2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide
CID 22691217
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride
CID 14837118
2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 43841950

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide (CID 119276864) is N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide is N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is KJQLTDRQPSCJJZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N3O2/c20-17(12-13-4-2-1-3-5-13)19(24)22-16-10-8-15(9-11-16)21-18(23)14-6-7-14/h1-5,8-11,14,17H,6-7,12,20H2,(H,21,23)(H,22,24)/t17-/m0/s1.
What are the key properties of N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide?
N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 119276864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).