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

C20H25N3O5 — CID 108869836

IUPAC2-amino-N-[(3,4,5-triethoxyphenyl)carbamoyl]benzamide
SMILESCCOc1cc(NC(=O)NC(=O)c2ccccc2N)cc(OCC)c1OCC
InChIInChI=1S/C20H25N3O5/c1-4-26-16-11-13(12-17(27-5-2)18(16)28-6-3)22-20(25)23-19(24)14-9-7-8-10-15(14)21/h7-12H,4-6,21H2,1-3H3,(H2,22,23,24,25)
InChIKeyXOSLXJCAARPSNW-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.43
Rot. Bonds8

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

2-amino-N-[(3,4,5-triethoxyphenyl)carbamoyl]benzamide (PubChem CID 108869836) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-amino-N-[(3,4,5-triethoxyphenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[(3,4,5-triethoxyphenyl)carbamoyl]benzamide
PubChem CID108869836
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name2-amino-N-[(3,4,5-triethoxyphenyl)carbamoyl]benzamide
SMILESCCOc1cc(NC(=O)NC(=O)c2ccccc2N)cc(OCC)c1OCC
InChIInChI=1S/C20H25N3O5/c1-4-26-16-11-13(12-17(27-5-2)18(16)28-6-3)22-20(25)23-19(24)14-9-7-8-10-15(14)21/h7-12H,4-6,21H2,1-3H3,(H2,22,23,24,25)
InChIKeyXOSLXJCAARPSNW-UHFFFAOYSA-N
XLogP3.43
TPSA111.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.43
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-trimethoxyphenyl)carbamoyl]benzamide
CID 108866717
1-(3,5-dimethylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869864
N'-(2-aminobenzoyl)-N-(2-ethoxyphenyl)oxamide
CID 108529371
1-[(2-methylphenyl)methyl]-3-(3,4,5-triethoxyphenyl)urea
CID 108869935
N-[3-[(3,4,5-triethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108869808
2-amino-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 108869162
1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869610
2-amino-N-(2-ethoxy-4-methylphenyl)benzamide
CID 60933793
1-(4-ethylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869770
2-amino-N-[(2-ethoxyphenyl)methyl]benzamide
CID 134085720
1-(2-nitrophenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869608
2-amino-N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]benzamide
CID 110512071

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,4,5-triethoxyphenyl)carbamoyl]benzamide?
The IUPAC name of 2-amino-N-[(3,4,5-triethoxyphenyl)carbamoyl]benzamide (CID 108869836) is 2-amino-N-[(3,4,5-triethoxyphenyl)carbamoyl]benzamide.
What is the SMILES notation for 2-amino-N-[(3,4,5-triethoxyphenyl)carbamoyl]benzamide?
The canonical SMILES for 2-amino-N-[(3,4,5-triethoxyphenyl)carbamoyl]benzamide is CCOc1cc(NC(=O)NC(=O)c2ccccc2N)cc(OCC)c1OCC.
What is the InChIKey of 2-amino-N-[(3,4,5-triethoxyphenyl)carbamoyl]benzamide?
The InChIKey is XOSLXJCAARPSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-4-26-16-11-13(12-17(27-5-2)18(16)28-6-3)22-20(25)23-19(24)14-9-7-8-10-15(14)21/h7-12H,4-6,21H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 2-amino-N-[(3,4,5-triethoxyphenyl)carbamoyl]benzamide?
2-amino-N-[(3,4,5-triethoxyphenyl)carbamoyl]benzamide has a molecular weight of 387.44 g/mol, XLogP of 3.43, 8 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-triethoxyphenyl)carbamoyl]benzamide is sourced from PubChem (CID 108869836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).