2-methoxy-4-[[methyl(phenyl)carbamoyl]amino]benzamide

C16H17N3O3 — CID 91393388

IUPAC2-methoxy-4-[[methyl(phenyl)carbamoyl]amino]benzamide
SMILESCOc1cc(NC(=O)N(C)c2ccccc2)ccc1C(N)=O
InChIInChI=1S/C16H17N3O3/c1-19(12-6-4-3-5-7-12)16(21)18-11-8-9-13(15(17)20)14(10-11)22-2/h3-10H,1-2H3,(H2,17,20)(H,18,21)
InChIKeyKHKGWMHVRXTWKK-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.46
Rot. Bonds4

About 2-methoxy-4-[[methyl(phenyl)carbamoyl]amino]benzamide

2-methoxy-4-[[methyl(phenyl)carbamoyl]amino]benzamide (PubChem CID 91393388) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-methoxy-4-[[methyl(phenyl)carbamoyl]amino]benzamide.

Molecular Properties

Compound Name2-methoxy-4-[[methyl(phenyl)carbamoyl]amino]benzamide
PubChem CID91393388
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-methoxy-4-[[methyl(phenyl)carbamoyl]amino]benzamide
SMILESCOc1cc(NC(=O)N(C)c2ccccc2)ccc1C(N)=O
InChIInChI=1S/C16H17N3O3/c1-19(12-6-4-3-5-7-12)16(21)18-11-8-9-13(15(17)20)14(10-11)22-2/h3-10H,1-2H3,(H2,17,20)(H,18,21)
InChIKeyKHKGWMHVRXTWKK-UHFFFAOYSA-N
XLogP2.46
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[[methyl(phenyl)carbamoyl]amino]benzoic acid
CID 61398621
3-(4-aminophenyl)-1-methyl-1-phenylurea
CID 43468906
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
2-methoxy-4-[[methyl-(4-phenoxyphenyl)carbamoyl]amino]-N-(3-piperidin-1-ylpropyl)benzamide
CID 58730686
3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea
CID 43246035
3-(4-ethylphenyl)-1-methyl-1-phenylurea
CID 108991136
3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea
CID 79154526
2-[(3,4-dimethoxyphenyl)carbamoyl-methylamino]propanoic acid
CID 62637175
2-methoxy-4-[[methyl(prop-2-enyl)carbamoyl]amino]benzoic acid
CID 107209518
N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
CID 44999686
3-(2-chloro-4-pyridinyl)-1-methyl-1-phenylurea
CID 134114152
2-methoxy-N-methyl-4-(phenylcarbamoylamino)benzamide
CID 58730700

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[methyl(phenyl)carbamoyl]amino]benzamide?
The IUPAC name of 2-methoxy-4-[[methyl(phenyl)carbamoyl]amino]benzamide (CID 91393388) is 2-methoxy-4-[[methyl(phenyl)carbamoyl]amino]benzamide.
What is the SMILES notation for 2-methoxy-4-[[methyl(phenyl)carbamoyl]amino]benzamide?
The canonical SMILES for 2-methoxy-4-[[methyl(phenyl)carbamoyl]amino]benzamide is COc1cc(NC(=O)N(C)c2ccccc2)ccc1C(N)=O.
What is the InChIKey of 2-methoxy-4-[[methyl(phenyl)carbamoyl]amino]benzamide?
The InChIKey is KHKGWMHVRXTWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-19(12-6-4-3-5-7-12)16(21)18-11-8-9-13(15(17)20)14(10-11)22-2/h3-10H,1-2H3,(H2,17,20)(H,18,21).
What are the key properties of 2-methoxy-4-[[methyl(phenyl)carbamoyl]amino]benzamide?
2-methoxy-4-[[methyl(phenyl)carbamoyl]amino]benzamide has a molecular weight of 299.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[methyl(phenyl)carbamoyl]amino]benzamide is sourced from PubChem (CID 91393388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).