N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide

C19H22N2O3 — CID 26500169

IUPACN-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C19H22N2O3/c1-13-8-9-14(2)16(12-13)21-18(22)10-11-20-19(23)15-6-4-5-7-17(15)24-3/h4-9,12H,10-11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyOFGGJDSQRCSFCP-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.07
Rot. Bonds6

About N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide

N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide (PubChem CID 26500169) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide
PubChem CID26500169
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C19H22N2O3/c1-13-8-9-14(2)16(12-13)21-18(22)10-11-20-19(23)15-6-4-5-7-17(15)24-3/h4-9,12H,10-11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyOFGGJDSQRCSFCP-UHFFFAOYSA-N
XLogP3.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide
CID 28918895
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide
CID 9098271
2-methoxy-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide
CID 28918889
N-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide
CID 883609
2-methoxy-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 24685535
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8735942
N-(2-methoxy-5-methylphenyl)-3-(2-methylanilino)propanamide
CID 51159592
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 28917301
N-(2,5-dimethylphenyl)-4-oxo-4-[2-(2-propan-2-yloxybenzoyl)hydrazinyl]butanamide
CID 17045660
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807853
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827702

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide?
The IUPAC name of N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide (CID 26500169) is N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide?
The InChIKey is OFGGJDSQRCSFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-8-9-14(2)16(12-13)21-18(22)10-11-20-19(23)15-6-4-5-7-17(15)24-3/h4-9,12H,10-11H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide?
N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide has a molecular weight of 326.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide is sourced from PubChem (CID 26500169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).