N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide

C19H22N2O3 — CID 100592155

IUPACN-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C19H22N2O3/c1-13-8-9-15(12-14(13)2)18(22)21-17-7-5-4-6-16(17)19(23)20-10-11-24-3/h4-9,12H,10-11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyQBOYHYFIMIMINF-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.93
Rot. Bonds6

About N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide

N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide (PubChem CID 100592155) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide
PubChem CID100592155
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C19H22N2O3/c1-13-8-9-15(12-14(13)2)18(22)21-17-7-5-4-6-16(17)19(23)20-10-11-24-3/h4-9,12H,10-11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyQBOYHYFIMIMINF-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-acetamidobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 34762470
N-(2-methoxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17150371
N-(2-methoxyethyl)-2-[(4-nitrobenzoyl)amino]benzamide
CID 2208926
N-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 40742879
2-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 92685868
3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945980
2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 2230013
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
N-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17149351
2-benzamido-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26549757
1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
CID 4945134
4-chloro-N-(2-methoxyethyl)-2-[(2-methylbenzoyl)amino]benzamide
CID 175979155

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide (CID 100592155) is N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide is COCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide?
The InChIKey is QBOYHYFIMIMINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-8-9-15(12-14(13)2)18(22)21-17-7-5-4-6-16(17)19(23)20-10-11-24-3/h4-9,12H,10-11H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide?
N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide has a molecular weight of 326.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 100592155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).