(2S)-N-(3-methoxyphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide

C24H26N2O3 — CID 7999144

IUPAC(2S)-N-(3-methoxyphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
SMILESCOc1cccc(NC(=O)[C@@H](NC(=O)Cc2cccc3ccccc23)C(C)C)c1
InChIInChI=1S/C24H26N2O3/c1-16(2)23(24(28)25-19-11-7-12-20(15-19)29-3)26-22(27)14-18-10-6-9-17-8-4-5-13-21(17)18/h4-13,15-16,23H,14H2,1-3H3,(H,25,28)(H,26,27)/t23-/m0/s1
InChIKeyMQKXZUGQCBUCRX-QHCPKHFHSA-N
MW390.48 g/mol
LogP4.17
Rot. Bonds7

About (2S)-N-(3-methoxyphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide

(2S)-N-(3-methoxyphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide (PubChem CID 7999144) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is (2S)-N-(3-methoxyphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide.

Molecular Properties

Compound Name(2S)-N-(3-methoxyphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
PubChem CID7999144
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name(2S)-N-(3-methoxyphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
SMILESCOc1cccc(NC(=O)[C@@H](NC(=O)Cc2cccc3ccccc23)C(C)C)c1
InChIInChI=1S/C24H26N2O3/c1-16(2)23(24(28)25-19-11-7-12-20(15-19)29-3)26-22(27)14-18-10-6-9-17-8-4-5-13-21(17)18/h4-13,15-16,23H,14H2,1-3H3,(H,25,28)(H,26,27)/t23-/m0/s1
InChIKeyMQKXZUGQCBUCRX-QHCPKHFHSA-N
XLogP4.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-hydroxy-N-(3-methoxyphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 6724234
(2S)-N-(3,5-dimethylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 7611312
(2R)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 26002941
(2S)-N-(4-tert-butylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 7610874
phenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
CID 9138862
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)butanamide
CID 25354479
(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 2084038
2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid
CID 122366195
N-[(2S)-1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 2709764
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] naphthalene-1-carboxylate
CID 8707182
N-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9477584

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methoxyphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide?
The IUPAC name of (2S)-N-(3-methoxyphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide (CID 7999144) is (2S)-N-(3-methoxyphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide.
What is the SMILES notation for (2S)-N-(3-methoxyphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide?
The canonical SMILES for (2S)-N-(3-methoxyphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide is COc1cccc(NC(=O)[C@@H](NC(=O)Cc2cccc3ccccc23)C(C)C)c1.
What is the InChIKey of (2S)-N-(3-methoxyphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide?
The InChIKey is MQKXZUGQCBUCRX-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-16(2)23(24(28)25-19-11-7-12-20(15-19)29-3)26-22(27)14-18-10-6-9-17-8-4-5-13-21(17)18/h4-13,15-16,23H,14H2,1-3H3,(H,25,28)(H,26,27)/t23-/m0/s1.
What are the key properties of (2S)-N-(3-methoxyphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide?
(2S)-N-(3-methoxyphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide has a molecular weight of 390.48 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methoxyphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide is sourced from PubChem (CID 7999144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).