N-[[4-(ethylaminocarbamoyl)phenyl]methyl]benzamide

C17H19N3O2 — CID 139558706

IUPACN-[[4-(ethylaminocarbamoyl)phenyl]methyl]benzamide
SMILESCCNNC(=O)c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19N3O2/c1-2-19-20-17(22)15-10-8-13(9-11-15)12-18-16(21)14-6-4-3-5-7-14/h3-11,19H,2,12H2,1H3,(H,18,21)(H,20,22)
InChIKeyXFDKMPCSDVCXCQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.87
Rot. Bonds6

About N-[[4-(ethylaminocarbamoyl)phenyl]methyl]benzamide

N-[[4-(ethylaminocarbamoyl)phenyl]methyl]benzamide (PubChem CID 139558706) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[[4-(ethylaminocarbamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-(ethylaminocarbamoyl)phenyl]methyl]benzamide
PubChem CID139558706
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[[4-(ethylaminocarbamoyl)phenyl]methyl]benzamide
SMILESCCNNC(=O)c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19N3O2/c1-2-19-20-17(22)15-10-8-13(9-11-15)12-18-16(21)14-6-4-3-5-7-14/h3-11,19H,2,12H2,1H3,(H,18,21)(H,20,22)
InChIKeyXFDKMPCSDVCXCQ-UHFFFAOYSA-N
XLogP1.87
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethylaminocarbamoyl)phenyl]methyl]benzamide?
The IUPAC name of N-[[4-(ethylaminocarbamoyl)phenyl]methyl]benzamide (CID 139558706) is N-[[4-(ethylaminocarbamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-[[4-(ethylaminocarbamoyl)phenyl]methyl]benzamide?
The canonical SMILES for N-[[4-(ethylaminocarbamoyl)phenyl]methyl]benzamide is CCNNC(=O)c1ccc(CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[4-(ethylaminocarbamoyl)phenyl]methyl]benzamide?
The InChIKey is XFDKMPCSDVCXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-2-19-20-17(22)15-10-8-13(9-11-15)12-18-16(21)14-6-4-3-5-7-14/h3-11,19H,2,12H2,1H3,(H,18,21)(H,20,22).
What are the key properties of N-[[4-(ethylaminocarbamoyl)phenyl]methyl]benzamide?
N-[[4-(ethylaminocarbamoyl)phenyl]methyl]benzamide has a molecular weight of 297.36 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethylaminocarbamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 139558706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).