2-[(2-methylphenyl)carbamoylamino]-N-propylbenzamide

C18H21N3O2 — CID 2901556

IUPAC2-[(2-methylphenyl)carbamoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)Nc1ccccc1C
InChIInChI=1S/C18H21N3O2/c1-3-12-19-17(22)14-9-5-7-11-16(14)21-18(23)20-15-10-6-4-8-13(15)2/h4-11H,3,12H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyOUTHGWMESYQPAH-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.78
Rot. Bonds5

About 2-[(2-methylphenyl)carbamoylamino]-N-propylbenzamide

2-[(2-methylphenyl)carbamoylamino]-N-propylbenzamide (PubChem CID 2901556) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-[(2-methylphenyl)carbamoylamino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[(2-methylphenyl)carbamoylamino]-N-propylbenzamide
PubChem CID2901556
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-[(2-methylphenyl)carbamoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)Nc1ccccc1C
InChIInChI=1S/C18H21N3O2/c1-3-12-19-17(22)14-9-5-7-11-16(14)21-18(23)20-15-10-6-4-8-13(15)2/h4-11H,3,12H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyOUTHGWMESYQPAH-UHFFFAOYSA-N
XLogP3.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)carbamoylamino]-N-propylbenzamide?
The IUPAC name of 2-[(2-methylphenyl)carbamoylamino]-N-propylbenzamide (CID 2901556) is 2-[(2-methylphenyl)carbamoylamino]-N-propylbenzamide.
What is the SMILES notation for 2-[(2-methylphenyl)carbamoylamino]-N-propylbenzamide?
The canonical SMILES for 2-[(2-methylphenyl)carbamoylamino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NC(=O)Nc1ccccc1C.
What is the InChIKey of 2-[(2-methylphenyl)carbamoylamino]-N-propylbenzamide?
The InChIKey is OUTHGWMESYQPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-12-19-17(22)14-9-5-7-11-16(14)21-18(23)20-15-10-6-4-8-13(15)2/h4-11H,3,12H2,1-2H3,(H,19,22)(H2,20,21,23).
What are the key properties of 2-[(2-methylphenyl)carbamoylamino]-N-propylbenzamide?
2-[(2-methylphenyl)carbamoylamino]-N-propylbenzamide has a molecular weight of 311.39 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)carbamoylamino]-N-propylbenzamide is sourced from PubChem (CID 2901556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).