2-amino-N-[(3,4,5-trimethoxyphenyl)carbamoyl]benzamide

C17H19N3O5 — CID 108866717

IUPAC2-amino-N-[(3,4,5-trimethoxyphenyl)carbamoyl]benzamide
SMILESCOc1cc(NC(=O)NC(=O)c2ccccc2N)cc(OC)c1OC
InChIInChI=1S/C17H19N3O5/c1-23-13-8-10(9-14(24-2)15(13)25-3)19-17(22)20-16(21)11-6-4-5-7-12(11)18/h4-9H,18H2,1-3H3,(H2,19,20,21,22)
InChIKeyVSWWZAYYFMOSHO-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.26
Rot. Bonds5

About 2-amino-N-[(3,4,5-trimethoxyphenyl)carbamoyl]benzamide

2-amino-N-[(3,4,5-trimethoxyphenyl)carbamoyl]benzamide (PubChem CID 108866717) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-amino-N-[(3,4,5-trimethoxyphenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[(3,4,5-trimethoxyphenyl)carbamoyl]benzamide
PubChem CID108866717
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name2-amino-N-[(3,4,5-trimethoxyphenyl)carbamoyl]benzamide
SMILESCOc1cc(NC(=O)NC(=O)c2ccccc2N)cc(OC)c1OC
InChIInChI=1S/C17H19N3O5/c1-23-13-8-10(9-14(24-2)15(13)25-3)19-17(22)20-16(21)11-6-4-5-7-12(11)18/h4-9H,18H2,1-3H3,(H2,19,20,21,22)
InChIKeyVSWWZAYYFMOSHO-UHFFFAOYSA-N
XLogP2.26
TPSA111.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(3,4,5-triethoxyphenyl)carbamoyl]benzamide
CID 108869836
2-amino-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 108869162
2-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 7741659
methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate
CID 17374900
1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866651
1-methyl-3-(3,4,5-trimethoxyphenyl)urea
CID 17171369
2,3-dibromo-N-[(3,4,5-trimethoxyphenyl)carbamoyl]butanamide
CID 21423279
4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide
CID 84552154
1-(2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866635
1-methyl-2-oxo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 110692939
N-[(3,4-dichlorophenyl)carbamoyl]-2-methoxybenzamide
CID 19796862
(E)-1-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 12701089

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,4,5-trimethoxyphenyl)carbamoyl]benzamide?
The IUPAC name of 2-amino-N-[(3,4,5-trimethoxyphenyl)carbamoyl]benzamide (CID 108866717) is 2-amino-N-[(3,4,5-trimethoxyphenyl)carbamoyl]benzamide.
What is the SMILES notation for 2-amino-N-[(3,4,5-trimethoxyphenyl)carbamoyl]benzamide?
The canonical SMILES for 2-amino-N-[(3,4,5-trimethoxyphenyl)carbamoyl]benzamide is COc1cc(NC(=O)NC(=O)c2ccccc2N)cc(OC)c1OC.
What is the InChIKey of 2-amino-N-[(3,4,5-trimethoxyphenyl)carbamoyl]benzamide?
The InChIKey is VSWWZAYYFMOSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-23-13-8-10(9-14(24-2)15(13)25-3)19-17(22)20-16(21)11-6-4-5-7-12(11)18/h4-9H,18H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 2-amino-N-[(3,4,5-trimethoxyphenyl)carbamoyl]benzamide?
2-amino-N-[(3,4,5-trimethoxyphenyl)carbamoyl]benzamide has a molecular weight of 345.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3,4,5-trimethoxyphenyl)carbamoyl]benzamide is sourced from PubChem (CID 108866717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).