N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide

C21H35NO — CID 71106903

IUPACN-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide
SMILESCCCCC(CCCC)N(Cc1cccc(C)c1)C(=O)CCC
InChIInChI=1S/C21H35NO/c1-5-8-14-20(15-9-6-2)22(21(23)11-7-3)17-19-13-10-12-18(4)16-19/h10,12-13,16,20H,5-9,11,14-15,17H2,1-4H3
InChIKeyUEMPMISPQISGKI-UHFFFAOYSA-N
MW317.52 g/mol
LogP5.87
Rot. Bonds11

About N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide

N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide (PubChem CID 71106903) has the molecular formula C21H35NO and a molecular weight of 317.52 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide
PubChem CID71106903
Molecular FormulaC21H35NO
Molecular Weight317.52 g/mol
Exact Mass317.27
IUPAC NameN-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide
SMILESCCCCC(CCCC)N(Cc1cccc(C)c1)C(=O)CCC
InChIInChI=1S/C21H35NO/c1-5-8-14-20(15-9-6-2)22(21(23)11-7-3)17-19-13-10-12-18(4)16-19/h10,12-13,16,20H,5-9,11,14-15,17H2,1-4H3
InChIKeyUEMPMISPQISGKI-UHFFFAOYSA-N
XLogP5.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.52
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide 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 N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide (CID 71106903) is N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide is CCCCC(CCCC)N(Cc1cccc(C)c1)C(=O)CCC.
What is the InChIKey of N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide?
The InChIKey is UEMPMISPQISGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO/c1-5-8-14-20(15-9-6-2)22(21(23)11-7-3)17-19-13-10-12-18(4)16-19/h10,12-13,16,20H,5-9,11,14-15,17H2,1-4H3.
What are the key properties of N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide?
N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide has a molecular weight of 317.52 g/mol, XLogP of 5.87, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-N-nonan-5-ylbutanamide is sourced from PubChem (CID 71106903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).