(2S)-2-(benzylamino)-N-phenylpropanamide

C16H18N2O — CID 2443956

IUPAC(2S)-2-(benzylamino)-N-phenylpropanamide
SMILESC[C@H](NCc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H18N2O/c1-13(17-12-14-8-4-2-5-9-14)16(19)18-15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyXHSUXBNTECAPJX-ZDUSSCGKSA-N
MW254.33 g/mol
LogP2.80
Rot. Bonds5

About (2S)-2-(benzylamino)-N-phenylpropanamide

(2S)-2-(benzylamino)-N-phenylpropanamide (PubChem CID 2443956) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (2S)-2-(benzylamino)-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-(benzylamino)-N-phenylpropanamide
PubChem CID2443956
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(2S)-2-(benzylamino)-N-phenylpropanamide
SMILESC[C@H](NCc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H18N2O/c1-13(17-12-14-8-4-2-5-9-14)16(19)18-15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyXHSUXBNTECAPJX-ZDUSSCGKSA-N
XLogP2.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-N-phenylpropanamide
CID 4877973
(2R)-2-(benzylamino)-N-(3-chlorophenyl)propanamide
CID 2608999
2-(benzylamino)-N-naphthalen-2-ylpropanamide
CID 4870007
N-phenyl-2-(2-phenylethylamino)propanamide
CID 43083341
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide
CID 43401445
(3S)-4-anilino-3-(benzylamino)-4-oxobutanoic acid
CID 951097
2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide
CID 112726245
2-(furan-2-ylmethylamino)-N-phenylpropanamide
CID 43083282
2-[(6-methoxy-3-pyridinyl)methylamino]-N-phenylpropanamide
CID 60711152
2-(benzylamino)-N-(2-methylpropyl)propanamide
CID 43086806
(2R)-2-(benzylamino)-N,2-diphenylacetamide
CID 101449959
(2R)-2-(benzylamino)propanoyl chloride
CID 166639498

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzylamino)-N-phenylpropanamide?
The IUPAC name of (2S)-2-(benzylamino)-N-phenylpropanamide (CID 2443956) is (2S)-2-(benzylamino)-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-(benzylamino)-N-phenylpropanamide?
The canonical SMILES for (2S)-2-(benzylamino)-N-phenylpropanamide is C[C@H](NCc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-2-(benzylamino)-N-phenylpropanamide?
The InChIKey is XHSUXBNTECAPJX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N2O/c1-13(17-12-14-8-4-2-5-9-14)16(19)18-15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-(benzylamino)-N-phenylpropanamide?
(2S)-2-(benzylamino)-N-phenylpropanamide has a molecular weight of 254.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzylamino)-N-phenylpropanamide is sourced from PubChem (CID 2443956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).