N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methylbenzamide

C19H22N2O3 — CID 953068

IUPACN-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methylbenzamide
SMILESCOc1cc(NC(=O)c2ccccc2C)ccc1NC(=O)C(C)C
InChIInChI=1S/C19H22N2O3/c1-12(2)18(22)21-16-10-9-14(11-17(16)24-4)20-19(23)15-8-6-5-7-13(15)3/h5-12H,1-4H3,(H,20,23)(H,21,22)
InChIKeyGUIGUNAYPIFAKZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.85
Rot. Bonds5

About N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methylbenzamide

N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methylbenzamide (PubChem CID 953068) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methylbenzamide
PubChem CID953068
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methylbenzamide
SMILESCOc1cc(NC(=O)c2ccccc2C)ccc1NC(=O)C(C)C
InChIInChI=1S/C19H22N2O3/c1-12(2)18(22)21-16-10-9-14(11-17(16)24-4)20-19(23)15-8-6-5-7-13(15)3/h5-12H,1-4H3,(H,20,23)(H,21,22)
InChIKeyGUIGUNAYPIFAKZ-UHFFFAOYSA-N
XLogP3.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]naphthalene-1-carboxamide
CID 2196432
3,4-dimethoxy-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide
CID 6459943
N-[4-(carbamothioylamino)-2-methoxyphenyl]-2-methylpropanamide
CID 50882114
N-[4-(2,2-diphenylpropanoylamino)-2-methoxyphenyl]-2-methylpropanamide
CID 1248582
N-[2-methoxy-4-[(2,2,2-trichloroacetyl)amino]phenyl]-2-methylpropanamide
CID 1298914
4-cyano-2-fluoro-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide
CID 2993174
N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methyl-2-phenoxypropanamide
CID 30309174
N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 55618994
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylbenzamide
CID 134019085
5-chloro-N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-methoxybenzamide
CID 17111377
N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-2,4-dimethylbenzamide
CID 131938422
N-[4-[[2-(2,3-dimethylphenoxy)acetyl]carbamothioylamino]-2-methoxyphenyl]-2-methylpropanamide
CID 1294751

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methylbenzamide?
The IUPAC name of N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methylbenzamide (CID 953068) is N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methylbenzamide is COc1cc(NC(=O)c2ccccc2C)ccc1NC(=O)C(C)C.
What is the InChIKey of N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methylbenzamide?
The InChIKey is GUIGUNAYPIFAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12(2)18(22)21-16-10-9-14(11-17(16)24-4)20-19(23)15-8-6-5-7-13(15)3/h5-12H,1-4H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methylbenzamide?
N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methylbenzamide has a molecular weight of 326.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methylbenzamide is sourced from PubChem (CID 953068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).