N-(3-aminopropyl)-N-benzylhexanamide

C16H26N2O — CID 107366146

IUPACN-(3-aminopropyl)-N-benzylhexanamide
SMILESCCCCCC(=O)N(CCCN)Cc1ccccc1
InChIInChI=1S/C16H26N2O/c1-2-3-5-11-16(19)18(13-8-12-17)14-15-9-6-4-7-10-15/h4,6-7,9-10H,2-3,5,8,11-14,17H2,1H3
InChIKeyOJLOTYPCZJSWNQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.94
Rot. Bonds9

About N-(3-aminopropyl)-N-benzylhexanamide

N-(3-aminopropyl)-N-benzylhexanamide (PubChem CID 107366146) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzylhexanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzylhexanamide
PubChem CID107366146
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(3-aminopropyl)-N-benzylhexanamide
SMILESCCCCCC(=O)N(CCCN)Cc1ccccc1
InChIInChI=1S/C16H26N2O/c1-2-3-5-11-16(19)18(13-8-12-17)14-15-9-6-4-7-10-15/h4,6-7,9-10H,2-3,5,8,11-14,17H2,1H3
InChIKeyOJLOTYPCZJSWNQ-UHFFFAOYSA-N
XLogP2.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-benzyl-N-propylbutanamide
CID 43588666
N-benzyl-N-butyl-4-hydroxybutanamide
CID 139706995
6-[benzyl(propyl)amino]-6-oxohexanoic acid
CID 43579947
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
3-[benzyl(pentanoyl)amino]propanoic acid
CID 82323494
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
N-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide
CID 82103781
ethyl 2-[benzyl(hexanoyl)amino]acetate
CID 78978694
N-benzyl-N-butylpropanamide
CID 12502571
N-(2-aminoethyl)-N-butyl-4-phenylbutanamide
CID 63754072
N-benzyl-2-bromo-N-hexylacetamide
CID 68872277
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzylhexanamide?
The IUPAC name of N-(3-aminopropyl)-N-benzylhexanamide (CID 107366146) is N-(3-aminopropyl)-N-benzylhexanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzylhexanamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzylhexanamide is CCCCCC(=O)N(CCCN)Cc1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-N-benzylhexanamide?
The InChIKey is OJLOTYPCZJSWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-3-5-11-16(19)18(13-8-12-17)14-15-9-6-4-7-10-15/h4,6-7,9-10H,2-3,5,8,11-14,17H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-benzylhexanamide?
N-(3-aminopropyl)-N-benzylhexanamide has a molecular weight of 262.40 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzylhexanamide is sourced from PubChem (CID 107366146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).