N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide

C24H25N3O3 — CID 55370905

IUPACN-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide
SMILESCCOc1ccc(CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C24H25N3O3/c1-3-30-22-15-9-18(10-16-22)17-27(2)23(28)19-11-13-21(14-12-19)26-24(29)25-20-7-5-4-6-8-20/h4-16H,3,17H2,1-2H3,(H2,25,26,29)
InChIKeyQUGYGASCTZIIMP-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.00
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide

N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide (PubChem CID 55370905) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide
PubChem CID55370905
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide
SMILESCCOc1ccc(CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C24H25N3O3/c1-3-30-22-15-9-18(10-16-22)17-27(2)23(28)19-11-13-21(14-12-19)26-24(29)25-20-7-5-4-6-8-20/h4-16H,3,17H2,1-2H3,(H2,25,26,29)
InChIKeyQUGYGASCTZIIMP-UHFFFAOYSA-N
XLogP5.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55650557
N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 78780692
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 78770402
N-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109156390
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
4-benzamido-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 46536995
1-benzyl-3-(4-ethoxyphenyl)-1-methylthiourea
CID 4666510
2-(4-acetamidophenyl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 27823052
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 55437961
4-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]-N-[(2-fluorophenyl)methyl]benzamide
CID 55819022
1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874274
4-[(4-ethoxyanilino)methyl]-N-methyl-N-phenylbenzamide
CID 122195977

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide (CID 55370905) is N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide is CCOc1ccc(CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide?
The InChIKey is QUGYGASCTZIIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-3-30-22-15-9-18(10-16-22)17-27(2)23(28)19-11-13-21(14-12-19)26-24(29)25-20-7-5-4-6-8-20/h4-16H,3,17H2,1-2H3,(H2,25,26,29).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide?
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide has a molecular weight of 403.48 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 55370905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).