(2R)-N-(3,5-dimethylphenyl)-2-[(1-oxo-4H-naphthalen-2-yl)amino]-3-phenylpropanamide

C27H26N2O2 — CID 163763203

IUPAC(2R)-N-(3,5-dimethylphenyl)-2-[(1-oxo-4H-naphthalen-2-yl)amino]-3-phenylpropanamide
SMILESCc1cc(C)cc(NC(=O)[C@@H](Cc2ccccc2)NC2=CCc3ccccc3C2=O)c1
InChIInChI=1S/C27H26N2O2/c1-18-14-19(2)16-22(15-18)28-27(31)25(17-20-8-4-3-5-9-20)29-24-13-12-21-10-6-7-11-23(21)26(24)30/h3-11,13-16,25,29H,12,17H2,1-2H3,(H,28,31)/t25-/m1/s1
InChIKeyLZZVUQSKYPPIJO-RUZDIDTESA-N
MW410.52 g/mol
LogP4.77
Rot. Bonds6

About (2R)-N-(3,5-dimethylphenyl)-2-[(1-oxo-4H-naphthalen-2-yl)amino]-3-phenylpropanamide

(2R)-N-(3,5-dimethylphenyl)-2-[(1-oxo-4H-naphthalen-2-yl)amino]-3-phenylpropanamide (PubChem CID 163763203) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is (2R)-N-(3,5-dimethylphenyl)-2-[(1-oxo-4H-naphthalen-2-yl)amino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-(3,5-dimethylphenyl)-2-[(1-oxo-4H-naphthalen-2-yl)amino]-3-phenylpropanamide
PubChem CID163763203
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name(2R)-N-(3,5-dimethylphenyl)-2-[(1-oxo-4H-naphthalen-2-yl)amino]-3-phenylpropanamide
SMILESCc1cc(C)cc(NC(=O)[C@@H](Cc2ccccc2)NC2=CCc3ccccc3C2=O)c1
InChIInChI=1S/C27H26N2O2/c1-18-14-19(2)16-22(15-18)28-27(31)25(17-20-8-4-3-5-9-20)29-24-13-12-21-10-6-7-11-23(21)26(24)30/h3-11,13-16,25,29H,12,17H2,1-2H3,(H,28,31)/t25-/m1/s1
InChIKeyLZZVUQSKYPPIJO-RUZDIDTESA-N
XLogP4.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-2-[(1,4-dioxonaphthalen-2-yl)amino]-3-phenylpropanamide
CID 175111130
N-(4-chlorophenyl)-2-[(1,4-dioxonaphthalen-2-yl)amino]-3-phenylpropanamide
CID 146504363
N-(4-bromo-3-fluorophenyl)-2-[(1,4-dioxonaphthalen-2-yl)amino]-3-phenylpropanamide
CID 175112988
(2S)-N-(3,5-dimethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 92726709
(2S)-N-(3,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165304
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,5-dimethylphenyl)-3-phenylpropanamide
CID 28538298
(2S)-N-(4-acetamidophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537725
N,3-diphenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119780429
N-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 20905754
benzyl N-[1-(3,5-dimethylanilino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 14440813
2-bromo-N-(4-methylphenyl)-3-phenylpropanamide
CID 43845154
(2R)-2-formamido-N,3-diphenylpropanamide
CID 167282540

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,5-dimethylphenyl)-2-[(1-oxo-4H-naphthalen-2-yl)amino]-3-phenylpropanamide?
The IUPAC name of (2R)-N-(3,5-dimethylphenyl)-2-[(1-oxo-4H-naphthalen-2-yl)amino]-3-phenylpropanamide (CID 163763203) is (2R)-N-(3,5-dimethylphenyl)-2-[(1-oxo-4H-naphthalen-2-yl)amino]-3-phenylpropanamide.
What is the SMILES notation for (2R)-N-(3,5-dimethylphenyl)-2-[(1-oxo-4H-naphthalen-2-yl)amino]-3-phenylpropanamide?
The canonical SMILES for (2R)-N-(3,5-dimethylphenyl)-2-[(1-oxo-4H-naphthalen-2-yl)amino]-3-phenylpropanamide is Cc1cc(C)cc(NC(=O)[C@@H](Cc2ccccc2)NC2=CCc3ccccc3C2=O)c1.
What is the InChIKey of (2R)-N-(3,5-dimethylphenyl)-2-[(1-oxo-4H-naphthalen-2-yl)amino]-3-phenylpropanamide?
The InChIKey is LZZVUQSKYPPIJO-RUZDIDTESA-N. The full InChI is InChI=1S/C27H26N2O2/c1-18-14-19(2)16-22(15-18)28-27(31)25(17-20-8-4-3-5-9-20)29-24-13-12-21-10-6-7-11-23(21)26(24)30/h3-11,13-16,25,29H,12,17H2,1-2H3,(H,28,31)/t25-/m1/s1.
What are the key properties of (2R)-N-(3,5-dimethylphenyl)-2-[(1-oxo-4H-naphthalen-2-yl)amino]-3-phenylpropanamide?
(2R)-N-(3,5-dimethylphenyl)-2-[(1-oxo-4H-naphthalen-2-yl)amino]-3-phenylpropanamide has a molecular weight of 410.52 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,5-dimethylphenyl)-2-[(1-oxo-4H-naphthalen-2-yl)amino]-3-phenylpropanamide is sourced from PubChem (CID 163763203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).