N-[4-[(3,5-dimethylphenyl)carbamoylamino]phenyl]acetamide

C17H19N3O2 — CID 2814306

IUPACN-[4-[(3,5-dimethylphenyl)carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C17H19N3O2/c1-11-8-12(2)10-16(9-11)20-17(22)19-15-6-4-14(5-7-15)18-13(3)21/h4-10H,1-3H3,(H,18,21)(H2,19,20,22)
InChIKeyRGDALDOPBMLMFO-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.91
Rot. Bonds3

About N-[4-[(3,5-dimethylphenyl)carbamoylamino]phenyl]acetamide

N-[4-[(3,5-dimethylphenyl)carbamoylamino]phenyl]acetamide (PubChem CID 2814306) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[4-[(3,5-dimethylphenyl)carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3,5-dimethylphenyl)carbamoylamino]phenyl]acetamide
PubChem CID2814306
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[4-[(3,5-dimethylphenyl)carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C17H19N3O2/c1-11-8-12(2)10-16(9-11)20-17(22)19-15-6-4-14(5-7-15)18-13(3)21/h4-10H,1-3H3,(H,18,21)(H2,19,20,22)
InChIKeyRGDALDOPBMLMFO-UHFFFAOYSA-N
XLogP3.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dimethylphenyl)carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(3,5-dimethylphenyl)carbamoylamino]phenyl]acetamide (CID 2814306) is N-[4-[(3,5-dimethylphenyl)carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3,5-dimethylphenyl)carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(3,5-dimethylphenyl)carbamoylamino]phenyl]acetamide is CC(=O)Nc1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1.
What is the InChIKey of N-[4-[(3,5-dimethylphenyl)carbamoylamino]phenyl]acetamide?
The InChIKey is RGDALDOPBMLMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-8-12(2)10-16(9-11)20-17(22)19-15-6-4-14(5-7-15)18-13(3)21/h4-10H,1-3H3,(H,18,21)(H2,19,20,22).
What are the key properties of N-[4-[(3,5-dimethylphenyl)carbamoylamino]phenyl]acetamide?
N-[4-[(3,5-dimethylphenyl)carbamoylamino]phenyl]acetamide has a molecular weight of 297.36 g/mol, XLogP of 3.91, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-dimethylphenyl)carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 2814306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).