(2S,3S)-3-methyl-2-[(2-phenylphenyl)carbamoylamino]pentanamide

C19H23N3O2 — CID 97307942

IUPAC(2S,3S)-3-methyl-2-[(2-phenylphenyl)carbamoylamino]pentanamide
SMILESCC[C@H](C)[C@H](NC(=O)Nc1ccccc1-c1ccccc1)C(N)=O
InChIInChI=1S/C19H23N3O2/c1-3-13(2)17(18(20)23)22-19(24)21-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-13,17H,3H2,1-2H3,(H2,20,23)(H2,21,22,24)/t13-,17-/m0/s1
InChIKeyYKXSFMRARJBQRT-GUYCJALGSA-N
MW325.41 g/mol
LogP3.38
Rot. Bonds6

About (2S,3S)-3-methyl-2-[(2-phenylphenyl)carbamoylamino]pentanamide

(2S,3S)-3-methyl-2-[(2-phenylphenyl)carbamoylamino]pentanamide (PubChem CID 97307942) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[(2-phenylphenyl)carbamoylamino]pentanamide.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[(2-phenylphenyl)carbamoylamino]pentanamide
PubChem CID97307942
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(2S,3S)-3-methyl-2-[(2-phenylphenyl)carbamoylamino]pentanamide
SMILESCC[C@H](C)[C@H](NC(=O)Nc1ccccc1-c1ccccc1)C(N)=O
InChIInChI=1S/C19H23N3O2/c1-3-13(2)17(18(20)23)22-19(24)21-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-13,17H,3H2,1-2H3,(H2,20,23)(H2,21,22,24)/t13-,17-/m0/s1
InChIKeyYKXSFMRARJBQRT-GUYCJALGSA-N
XLogP3.38
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-methyl-2-[[2-oxo-2-(2-phenylanilino)ethyl]amino]pentanoic acid
CID 122099893
diethyl 2-[(2-phenylphenyl)carbamoylamino]propanedioate
CID 3756272
(2R,3S)-2-[(2-chlorophenyl)carbamoylamino]-3-methylpentanoic acid
CID 51554188
methyl 2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]carbamoylamino]benzoate
CID 40597076
2-[[2-(dimethylamino)phenyl]carbamoylamino]-3-methylpentanoic acid
CID 106760369
2-[(2-hydroxy-2-phenylacetyl)amino]-3-methylpentanamide
CID 110879934
(2R)-2-phenyl-N-(2-phenylphenyl)butanamide
CID 1328236
(2R,3S)-3-methyl-2-[(2-methylphenyl)carbamoylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 7349924
2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide
CID 4785458
(2S)-2-acetamido-N-(2-phenylphenyl)propanamide
CID 95234854
[(2S,3S)-3-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]pentan-2-yl]urea
CID 7613261
methyl 2-(2-phenylanilino)propanoate
CID 54941069

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-[(2-phenylphenyl)carbamoylamino]pentanamide?
The IUPAC name of (2S,3S)-3-methyl-2-[(2-phenylphenyl)carbamoylamino]pentanamide (CID 97307942) is (2S,3S)-3-methyl-2-[(2-phenylphenyl)carbamoylamino]pentanamide.
What is the SMILES notation for (2S,3S)-3-methyl-2-[(2-phenylphenyl)carbamoylamino]pentanamide?
The canonical SMILES for (2S,3S)-3-methyl-2-[(2-phenylphenyl)carbamoylamino]pentanamide is CC[C@H](C)[C@H](NC(=O)Nc1ccccc1-c1ccccc1)C(N)=O.
What is the InChIKey of (2S,3S)-3-methyl-2-[(2-phenylphenyl)carbamoylamino]pentanamide?
The InChIKey is YKXSFMRARJBQRT-GUYCJALGSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-13(2)17(18(20)23)22-19(24)21-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-13,17H,3H2,1-2H3,(H2,20,23)(H2,21,22,24)/t13-,17-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[(2-phenylphenyl)carbamoylamino]pentanamide?
(2S,3S)-3-methyl-2-[(2-phenylphenyl)carbamoylamino]pentanamide has a molecular weight of 325.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-[(2-phenylphenyl)carbamoylamino]pentanamide is sourced from PubChem (CID 97307942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).