3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide

C24H26N2O2 — CID 60575785

IUPAC3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
SMILESCc1ccc(NC(=O)C(NC(=O)Cc2ccc3ccccc3c2)C(C)C)cc1
InChIInChI=1S/C24H26N2O2/c1-16(2)23(24(28)25-21-12-8-17(3)9-13-21)26-22(27)15-18-10-11-19-6-4-5-7-20(19)14-18/h4-14,16,23H,15H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyBWMLBIUPCBVSLF-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.47
Rot. Bonds6

About 3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide

3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide (PubChem CID 60575785) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
PubChem CID60575785
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
SMILESCc1ccc(NC(=O)C(NC(=O)Cc2ccc3ccccc3c2)C(C)C)cc1
InChIInChI=1S/C24H26N2O2/c1-16(2)23(24(28)25-21-12-8-17(3)9-13-21)26-22(27)15-18-10-11-19-6-4-5-7-20(19)14-18/h4-14,16,23H,15H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyBWMLBIUPCBVSLF-UHFFFAOYSA-N
XLogP4.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide
CID 60575847
3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 71534500
N-(4-methylphenyl)-2-naphthalen-2-ylacetamide
CID 9411639
3-methyl-N-(1-methylpyrazol-4-yl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60578734
2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid
CID 119237542
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 51125355
2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide
CID 4637022
(2S)-N-(3,5-dimethylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 7611312
N-[(2R)-2-(ethylamino)propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide;hydrochloride
CID 120653472
N-[2-(3,5-difluorophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60610137
(2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 9038834
2-naphthalen-2-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 38196427

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide?
The IUPAC name of 3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide (CID 60575785) is 3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide.
What is the SMILES notation for 3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide?
The canonical SMILES for 3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide is Cc1ccc(NC(=O)C(NC(=O)Cc2ccc3ccccc3c2)C(C)C)cc1.
What is the InChIKey of 3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide?
The InChIKey is BWMLBIUPCBVSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-16(2)23(24(28)25-21-12-8-17(3)9-13-21)26-22(27)15-18-10-11-19-6-4-5-7-20(19)14-18/h4-14,16,23H,15H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of 3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide?
3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide has a molecular weight of 374.48 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide is sourced from PubChem (CID 60575785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).