N-hexyl-N-(3-methoxybutan-2-yl)prop-2-enamide

C14H27NO2 — CID 134504818

IUPACN-hexyl-N-(3-methoxybutan-2-yl)prop-2-enamide
SMILESC=CC(=O)N(CCCCCC)C(C)C(C)OC
InChIInChI=1S/C14H27NO2/c1-6-8-9-10-11-15(14(16)7-2)12(3)13(4)17-5/h7,12-13H,2,6,8-11H2,1,3-5H3
InChIKeyQKUMAUQDNINTGX-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.00
Rot. Bonds9

About N-hexyl-N-(3-methoxybutan-2-yl)prop-2-enamide

N-hexyl-N-(3-methoxybutan-2-yl)prop-2-enamide (PubChem CID 134504818) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-hexyl-N-(3-methoxybutan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-hexyl-N-(3-methoxybutan-2-yl)prop-2-enamide
PubChem CID134504818
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-hexyl-N-(3-methoxybutan-2-yl)prop-2-enamide
SMILESC=CC(=O)N(CCCCCC)C(C)C(C)OC
InChIInChI=1S/C14H27NO2/c1-6-8-9-10-11-15(14(16)7-2)12(3)13(4)17-5/h7,12-13H,2,6,8-11H2,1,3-5H3
InChIKeyQKUMAUQDNINTGX-UHFFFAOYSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-hexyl-N-(3-methoxybutan-2-yl)prop-2-enamide 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-hexyl-N-(3-methoxybutan-2-yl)prop-2-enamide?
The IUPAC name of N-hexyl-N-(3-methoxybutan-2-yl)prop-2-enamide (CID 134504818) is N-hexyl-N-(3-methoxybutan-2-yl)prop-2-enamide.
What is the SMILES notation for N-hexyl-N-(3-methoxybutan-2-yl)prop-2-enamide?
The canonical SMILES for N-hexyl-N-(3-methoxybutan-2-yl)prop-2-enamide is C=CC(=O)N(CCCCCC)C(C)C(C)OC.
What is the InChIKey of N-hexyl-N-(3-methoxybutan-2-yl)prop-2-enamide?
The InChIKey is QKUMAUQDNINTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-6-8-9-10-11-15(14(16)7-2)12(3)13(4)17-5/h7,12-13H,2,6,8-11H2,1,3-5H3.
What are the key properties of N-hexyl-N-(3-methoxybutan-2-yl)prop-2-enamide?
N-hexyl-N-(3-methoxybutan-2-yl)prop-2-enamide has a molecular weight of 241.37 g/mol, XLogP of 3.00, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-(3-methoxybutan-2-yl)prop-2-enamide is sourced from PubChem (CID 134504818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).