2-[bis(2-phenylacetyl)amino]-N-(2,5-dimethylphenyl)-3-methylbutanamide

C29H32N2O3 — CID 21156535

IUPAC2-[bis(2-phenylacetyl)amino]-N-(2,5-dimethylphenyl)-3-methylbutanamide
SMILESCc1ccc(C)c(NC(=O)C(C(C)C)N(C(=O)Cc2ccccc2)C(=O)Cc2ccccc2)c1
InChIInChI=1S/C29H32N2O3/c1-20(2)28(29(34)30-25-17-21(3)15-16-22(25)4)31(26(32)18-23-11-7-5-8-12-23)27(33)19-24-13-9-6-10-14-24/h5-17,20,28H,18-19H2,1-4H3,(H,30,34)
InChIKeyLCCJNVSCWGXQNP-UHFFFAOYSA-N
MW456.59 g/mol
LogP5.11
Rot. Bonds8

About 2-[bis(2-phenylacetyl)amino]-N-(2,5-dimethylphenyl)-3-methylbutanamide

2-[bis(2-phenylacetyl)amino]-N-(2,5-dimethylphenyl)-3-methylbutanamide (PubChem CID 21156535) has the molecular formula C29H32N2O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-[bis(2-phenylacetyl)amino]-N-(2,5-dimethylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-[bis(2-phenylacetyl)amino]-N-(2,5-dimethylphenyl)-3-methylbutanamide
PubChem CID21156535
Molecular FormulaC29H32N2O3
Molecular Weight456.59 g/mol
Exact Mass456.24
IUPAC Name2-[bis(2-phenylacetyl)amino]-N-(2,5-dimethylphenyl)-3-methylbutanamide
SMILESCc1ccc(C)c(NC(=O)C(C(C)C)N(C(=O)Cc2ccccc2)C(=O)Cc2ccccc2)c1
InChIInChI=1S/C29H32N2O3/c1-20(2)28(29(34)30-25-17-21(3)15-16-22(25)4)31(26(32)18-23-11-7-5-8-12-23)27(33)19-24-13-9-6-10-14-24/h5-17,20,28H,18-19H2,1-4H3,(H,30,34)
InChIKeyLCCJNVSCWGXQNP-UHFFFAOYSA-N
XLogP5.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 8563572
benzyl N-[1-(2,5-dimethylanilino)-1-oxopropan-2-yl]carbamate
CID 23822673
(2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 9275173
2-bromo-N-(2,5-dimethylphenyl)-3-methylbutanamide
CID 24710246
N-(2,5-dimethylphenyl)-2-(2-phenylethyl)benzamide
CID 19167579
(2S,3R)-N-(2,5-dimethylphenyl)-3-methyl-2-phenylpentanamide
CID 8712534
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
2-chloro-N-(2,5-dimethylphenyl)propanamide
CID 25218955
(2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 94011869
(2R)-N-(2,5-dimethylphenyl)-2-(2-methylpropylamino)-2-phenylacetamide
CID 2396119
[1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-phenylbutanoate
CID 46629703
1-(2,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 17270131

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-phenylacetyl)amino]-N-(2,5-dimethylphenyl)-3-methylbutanamide?
The IUPAC name of 2-[bis(2-phenylacetyl)amino]-N-(2,5-dimethylphenyl)-3-methylbutanamide (CID 21156535) is 2-[bis(2-phenylacetyl)amino]-N-(2,5-dimethylphenyl)-3-methylbutanamide.
What is the SMILES notation for 2-[bis(2-phenylacetyl)amino]-N-(2,5-dimethylphenyl)-3-methylbutanamide?
The canonical SMILES for 2-[bis(2-phenylacetyl)amino]-N-(2,5-dimethylphenyl)-3-methylbutanamide is Cc1ccc(C)c(NC(=O)C(C(C)C)N(C(=O)Cc2ccccc2)C(=O)Cc2ccccc2)c1.
What is the InChIKey of 2-[bis(2-phenylacetyl)amino]-N-(2,5-dimethylphenyl)-3-methylbutanamide?
The InChIKey is LCCJNVSCWGXQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O3/c1-20(2)28(29(34)30-25-17-21(3)15-16-22(25)4)31(26(32)18-23-11-7-5-8-12-23)27(33)19-24-13-9-6-10-14-24/h5-17,20,28H,18-19H2,1-4H3,(H,30,34).
What are the key properties of 2-[bis(2-phenylacetyl)amino]-N-(2,5-dimethylphenyl)-3-methylbutanamide?
2-[bis(2-phenylacetyl)amino]-N-(2,5-dimethylphenyl)-3-methylbutanamide has a molecular weight of 456.59 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-phenylacetyl)amino]-N-(2,5-dimethylphenyl)-3-methylbutanamide is sourced from PubChem (CID 21156535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).