6-amino-N-(4-pentylphenyl)hexanamide

C17H28N2O — CID 61248961

IUPAC6-amino-N-(4-pentylphenyl)hexanamide
SMILESCCCCCc1ccc(NC(=O)CCCCCN)cc1
InChIInChI=1S/C17H28N2O/c1-2-3-5-8-15-10-12-16(13-11-15)19-17(20)9-6-4-7-14-18/h10-13H,2-9,14,18H2,1H3,(H,19,20)
InChIKeyMTHKBONTGGNXNX-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.88
Rot. Bonds10

About 6-amino-N-(4-pentylphenyl)hexanamide

6-amino-N-(4-pentylphenyl)hexanamide (PubChem CID 61248961) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 6-amino-N-(4-pentylphenyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(4-pentylphenyl)hexanamide
PubChem CID61248961
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name6-amino-N-(4-pentylphenyl)hexanamide
SMILESCCCCCc1ccc(NC(=O)CCCCCN)cc1
InChIInChI=1S/C17H28N2O/c1-2-3-5-8-15-10-12-16(13-11-15)19-17(20)9-6-4-7-14-18/h10-13H,2-9,14,18H2,1H3,(H,19,20)
InChIKeyMTHKBONTGGNXNX-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-amino-N-(4-pentylphenyl)hexanamide with MolForge

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

Launch Full Analysis

Related Compounds

4-amino-N-(4-pentylphenyl)butanamide
CID 61248586
N-(4-heptylphenyl)heptanamide
CID 101077737
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
3-[4-(octanoylamino)phenyl]propanoic acid
CID 81370098
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
N-(4-dodecylphenyl)-6-[4-[4-(prop-2-enoylamino)phenyl]butanoylamino]hexanamide
CID 67517696
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]heptanamide
CID 114752772
2-(4-aminobutylsulfanyl)-N-(4-butylphenyl)acetamide
CID 82180180
12-amino-N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]phenyl]dodecanamide
CID 71562300
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
ethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate
CID 43706422

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-pentylphenyl)hexanamide?
The IUPAC name of 6-amino-N-(4-pentylphenyl)hexanamide (CID 61248961) is 6-amino-N-(4-pentylphenyl)hexanamide.
What is the SMILES notation for 6-amino-N-(4-pentylphenyl)hexanamide?
The canonical SMILES for 6-amino-N-(4-pentylphenyl)hexanamide is CCCCCc1ccc(NC(=O)CCCCCN)cc1.
What is the InChIKey of 6-amino-N-(4-pentylphenyl)hexanamide?
The InChIKey is MTHKBONTGGNXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-3-5-8-15-10-12-16(13-11-15)19-17(20)9-6-4-7-14-18/h10-13H,2-9,14,18H2,1H3,(H,19,20).
What are the key properties of 6-amino-N-(4-pentylphenyl)hexanamide?
6-amino-N-(4-pentylphenyl)hexanamide has a molecular weight of 276.42 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-pentylphenyl)hexanamide is sourced from PubChem (CID 61248961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).