N-[3-(3,4-dimethylbenzoyl)phenyl]-3-methylbutanamide

C20H23NO2 — CID 766020

IUPACN-[3-(3,4-dimethylbenzoyl)phenyl]-3-methylbutanamide
SMILESCc1ccc(C(=O)c2cccc(NC(=O)CC(C)C)c2)cc1C
InChIInChI=1S/C20H23NO2/c1-13(2)10-19(22)21-18-7-5-6-16(12-18)20(23)17-9-8-14(3)15(4)11-17/h5-9,11-13H,10H2,1-4H3,(H,21,22)
InChIKeyYRNRBUDDYYSBGX-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.52
Rot. Bonds5

About N-[3-(3,4-dimethylbenzoyl)phenyl]-3-methylbutanamide

N-[3-(3,4-dimethylbenzoyl)phenyl]-3-methylbutanamide (PubChem CID 766020) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[3-(3,4-dimethylbenzoyl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethylbenzoyl)phenyl]-3-methylbutanamide
PubChem CID766020
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-[3-(3,4-dimethylbenzoyl)phenyl]-3-methylbutanamide
SMILESCc1ccc(C(=O)c2cccc(NC(=O)CC(C)C)c2)cc1C
InChIInChI=1S/C20H23NO2/c1-13(2)10-19(22)21-18-7-5-6-16(12-18)20(23)17-9-8-14(3)15(4)11-17/h5-9,11-13H,10H2,1-4H3,(H,21,22)
InChIKeyYRNRBUDDYYSBGX-UHFFFAOYSA-N
XLogP4.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-[3-(3,4-dimethylbenzoyl)phenyl]acetamide
CID 168520748
(3,4-dimethylphenyl)-[3-(methylamino)phenyl]methanone
CID 116917283
N-[2-(3-acetylanilino)-2-oxoethyl]-3-methylbutanamide
CID 112999507
3-[[3-(3-methylbutanoylamino)benzoyl]amino]benzamide
CID 9325774
3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 21491914
3-[[3-(3-methylbutanoylamino)phenyl]carbamoyl]benzoic acid
CID 2232856
N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108541876
3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037592
N-[3-(3,4-dimethylbenzoyl)phenyl]-1,1,1-trifluoromethanesulfonamide
CID 71388181
N-(4-fluoro-3-methylphenyl)-3-methylbutanamide
CID 110776354
(3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone
CID 63491128
N-[1-(3,4-dimethylphenyl)ethylideneamino]-3-methylbutanamide
CID 5099857

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethylbenzoyl)phenyl]-3-methylbutanamide?
The IUPAC name of N-[3-(3,4-dimethylbenzoyl)phenyl]-3-methylbutanamide (CID 766020) is N-[3-(3,4-dimethylbenzoyl)phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[3-(3,4-dimethylbenzoyl)phenyl]-3-methylbutanamide?
The canonical SMILES for N-[3-(3,4-dimethylbenzoyl)phenyl]-3-methylbutanamide is Cc1ccc(C(=O)c2cccc(NC(=O)CC(C)C)c2)cc1C.
What is the InChIKey of N-[3-(3,4-dimethylbenzoyl)phenyl]-3-methylbutanamide?
The InChIKey is YRNRBUDDYYSBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-13(2)10-19(22)21-18-7-5-6-16(12-18)20(23)17-9-8-14(3)15(4)11-17/h5-9,11-13H,10H2,1-4H3,(H,21,22).
What are the key properties of N-[3-(3,4-dimethylbenzoyl)phenyl]-3-methylbutanamide?
N-[3-(3,4-dimethylbenzoyl)phenyl]-3-methylbutanamide has a molecular weight of 309.41 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethylbenzoyl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 766020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).