3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carboxamide

C22H23N3O2 — CID 141145857

IUPAC3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)Nc1cc2ccccc2cc1C(N)=O
InChIInChI=1S/C22H23N3O2/c1-3-14-10-7-11-15(4-2)20(14)25-22(27)24-19-13-17-9-6-5-8-16(17)12-18(19)21(23)26/h5-13H,3-4H2,1-2H3,(H2,23,26)(H2,24,25,27)
InChIKeyORXOHOCAWDHNSB-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.71
Rot. Bonds5

About 3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carboxamide

3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carboxamide (PubChem CID 141145857) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carboxamide
PubChem CID141145857
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)Nc1cc2ccccc2cc1C(N)=O
InChIInChI=1S/C22H23N3O2/c1-3-14-10-7-11-15(4-2)20(14)25-22(27)24-19-13-17-9-6-5-8-16(17)12-18(19)21(23)26/h5-13H,3-4H2,1-2H3,(H2,23,26)(H2,24,25,27)
InChIKeyORXOHOCAWDHNSB-UHFFFAOYSA-N
XLogP4.71
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carboxamide?
The IUPAC name of 3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carboxamide (CID 141145857) is 3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carboxamide is CCc1cccc(CC)c1NC(=O)Nc1cc2ccccc2cc1C(N)=O.
What is the InChIKey of 3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carboxamide?
The InChIKey is ORXOHOCAWDHNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-3-14-10-7-11-15(4-2)20(14)25-22(27)24-19-13-17-9-6-5-8-16(17)12-18(19)21(23)26/h5-13H,3-4H2,1-2H3,(H2,23,26)(H2,24,25,27).
What are the key properties of 3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carboxamide?
3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.71, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carboxamide is sourced from PubChem (CID 141145857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).