2-amino-N-[2-(4-methoxyphenyl)ethylcarbamoyl]benzamide

C17H19N3O3 — CID 108901974

IUPAC2-amino-N-[2-(4-methoxyphenyl)ethylcarbamoyl]benzamide
SMILESCOc1ccc(CCNC(=O)NC(=O)c2ccccc2N)cc1
InChIInChI=1S/C17H19N3O3/c1-23-13-8-6-12(7-9-13)10-11-19-17(22)20-16(21)14-4-2-3-5-15(14)18/h2-9H,10-11,18H2,1H3,(H2,19,20,21,22)
InChIKeyPZFFTQPCZGQDCL-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.96
Rot. Bonds5

About 2-amino-N-[2-(4-methoxyphenyl)ethylcarbamoyl]benzamide

2-amino-N-[2-(4-methoxyphenyl)ethylcarbamoyl]benzamide (PubChem CID 108901974) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-amino-N-[2-(4-methoxyphenyl)ethylcarbamoyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-methoxyphenyl)ethylcarbamoyl]benzamide
PubChem CID108901974
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-amino-N-[2-(4-methoxyphenyl)ethylcarbamoyl]benzamide
SMILESCOc1ccc(CCNC(=O)NC(=O)c2ccccc2N)cc1
InChIInChI=1S/C17H19N3O3/c1-23-13-8-6-12(7-9-13)10-11-19-17(22)20-16(21)14-4-2-3-5-15(14)18/h2-9H,10-11,18H2,1H3,(H2,19,20,21,22)
InChIKeyPZFFTQPCZGQDCL-UHFFFAOYSA-N
XLogP1.96
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(4-propylphenoxy)methylcarbamoyl]benzamide
CID 108879563
2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 699177
1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910187
N'-(2-aminobenzoyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108529375
N-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide
CID 103601610
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008
3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 104740841
2-amino-N-[(4-methylphenyl)methylcarbamoyl]benzamide
CID 108899120
1-(2-aminophenyl)-2-(4-methoxyphenyl)ethanone
CID 15573867
1-(2-cyanoethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108902041
1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108902007
1-[2-(3-bromophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901593

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-methoxyphenyl)ethylcarbamoyl]benzamide?
The IUPAC name of 2-amino-N-[2-(4-methoxyphenyl)ethylcarbamoyl]benzamide (CID 108901974) is 2-amino-N-[2-(4-methoxyphenyl)ethylcarbamoyl]benzamide.
What is the SMILES notation for 2-amino-N-[2-(4-methoxyphenyl)ethylcarbamoyl]benzamide?
The canonical SMILES for 2-amino-N-[2-(4-methoxyphenyl)ethylcarbamoyl]benzamide is COc1ccc(CCNC(=O)NC(=O)c2ccccc2N)cc1.
What is the InChIKey of 2-amino-N-[2-(4-methoxyphenyl)ethylcarbamoyl]benzamide?
The InChIKey is PZFFTQPCZGQDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-23-13-8-6-12(7-9-13)10-11-19-17(22)20-16(21)14-4-2-3-5-15(14)18/h2-9H,10-11,18H2,1H3,(H2,19,20,21,22).
What are the key properties of 2-amino-N-[2-(4-methoxyphenyl)ethylcarbamoyl]benzamide?
2-amino-N-[2-(4-methoxyphenyl)ethylcarbamoyl]benzamide has a molecular weight of 313.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-methoxyphenyl)ethylcarbamoyl]benzamide is sourced from PubChem (CID 108901974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).