(2R)-N-(3,4-dimethylphenyl)-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide

C27H30N2O2 — CID 1036687

IUPAC(2R)-N-(3,4-dimethylphenyl)-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide
SMILESCc1ccc(NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1C
InChIInChI=1S/C27H30N2O2/c1-18(2)25(27(31)28-23-16-15-19(3)20(4)17-23)29-26(30)24(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-18,24-25H,1-4H3,(H,28,31)(H,29,30)/t25-/m1/s1
InChIKeyBWGFYZKEPHCVEU-RUZDIDTESA-N
MW414.55 g/mol
LogP5.21
Rot. Bonds7

About (2R)-N-(3,4-dimethylphenyl)-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide

(2R)-N-(3,4-dimethylphenyl)-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide (PubChem CID 1036687) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is (2R)-N-(3,4-dimethylphenyl)-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-(3,4-dimethylphenyl)-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide
PubChem CID1036687
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name(2R)-N-(3,4-dimethylphenyl)-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide
SMILESCc1ccc(NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1C
InChIInChI=1S/C27H30N2O2/c1-18(2)25(27(31)28-23-16-15-19(3)20(4)17-23)29-26(30)24(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-18,24-25H,1-4H3,(H,28,31)(H,29,30)/t25-/m1/s1
InChIKeyBWGFYZKEPHCVEU-RUZDIDTESA-N
XLogP5.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2,2-diphenylacetyl)amino]-N-(4-iodophenyl)-3-methylbutanamide
CID 40592995
(2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide
CID 34977565
ethyl N-[1-(3,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 42958750
2-cyclopentyl-N-(3,4-dimethylphenyl)-2-phenylacetamide
CID 4556080
N-(3-fluoro-4-methylphenyl)-2,2-diphenylacetamide
CID 676006
(2R)-2-[(2,2-diphenylacetyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-3-methylbutanamide
CID 96564952
N-(3,4-dimethylphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684031
ethane;N-(4-methyl-3-nitrophenyl)-2,2-diphenylacetamide
CID 143201282
2-[(2,2-diphenylacetyl)amino]-N-(2-methylphenyl)propanamide
CID 42702223
(2S)-N-dibenzofuran-3-yl-2-[(2,2-diphenylacetyl)amino]propanamide
CID 126008008
(2R)-N-(3,4-dimethylphenyl)-2-pyrrol-1-ylpropanamide
CID 40796758
(2R)-2-benzylsulfanyl-N-(3,4-dimethylphenyl)propanamide
CID 2271946

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-dimethylphenyl)-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide?
The IUPAC name of (2R)-N-(3,4-dimethylphenyl)-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide (CID 1036687) is (2R)-N-(3,4-dimethylphenyl)-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide.
What is the SMILES notation for (2R)-N-(3,4-dimethylphenyl)-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide?
The canonical SMILES for (2R)-N-(3,4-dimethylphenyl)-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide is Cc1ccc(NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1C.
What is the InChIKey of (2R)-N-(3,4-dimethylphenyl)-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide?
The InChIKey is BWGFYZKEPHCVEU-RUZDIDTESA-N. The full InChI is InChI=1S/C27H30N2O2/c1-18(2)25(27(31)28-23-16-15-19(3)20(4)17-23)29-26(30)24(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-18,24-25H,1-4H3,(H,28,31)(H,29,30)/t25-/m1/s1.
What are the key properties of (2R)-N-(3,4-dimethylphenyl)-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide?
(2R)-N-(3,4-dimethylphenyl)-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide has a molecular weight of 414.55 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-dimethylphenyl)-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide is sourced from PubChem (CID 1036687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).