N-acetyl-N-(6-methyltridecan-6-yl)prop-2-ynamide

C19H33NO2 — CID 146253988

IUPACN-acetyl-N-(6-methyltridecan-6-yl)prop-2-ynamide
SMILESC#CC(=O)N(C(C)=O)C(C)(CCCCC)CCCCCCC
InChIInChI=1S/C19H33NO2/c1-6-9-11-12-14-16-19(5,15-13-10-7-2)20(17(4)21)18(22)8-3/h3H,6-7,9-16H2,1-2,4-5H3
InChIKeyRXKFAGGKRNKDQM-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.69
Rot. Bonds11

About N-acetyl-N-(6-methyltridecan-6-yl)prop-2-ynamide

N-acetyl-N-(6-methyltridecan-6-yl)prop-2-ynamide (PubChem CID 146253988) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is N-acetyl-N-(6-methyltridecan-6-yl)prop-2-ynamide.

Molecular Properties

Compound NameN-acetyl-N-(6-methyltridecan-6-yl)prop-2-ynamide
PubChem CID146253988
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC NameN-acetyl-N-(6-methyltridecan-6-yl)prop-2-ynamide
SMILESC#CC(=O)N(C(C)=O)C(C)(CCCCC)CCCCCCC
InChIInChI=1S/C19H33NO2/c1-6-9-11-12-14-16-19(5,15-13-10-7-2)20(17(4)21)18(22)8-3/h3H,6-7,9-16H2,1-2,4-5H3
InChIKeyRXKFAGGKRNKDQM-UHFFFAOYSA-N
XLogP4.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-acetyl-N-(6-methyltridecan-6-yl)prop-2-ynamide 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

N-acetyl-N-(3-methylhexan-3-yl)acetamide
CID 89349857
2,2-dimethylhexadecanamide
CID 23297438
2,2-dimethyldecanamide
CID 22596903
2-heptyl-2-methylpropanedioic acid
CID 89147986
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
N-acetyl-N-decylacetamide
CID 57029087
N-(3,3-dimethyldec-1-en-2-yl)-N-methylacetamide
CID 135141337
2-[acetyl(ethyl)amino]-2-methylnonanoic acid
CID 63701700
(3S)-3-ethyl-3-methylnonan-2-one
CID 177059310
2,2,3,3-tetramethylheptadecanoic acid
CID 54420506
2-amino-2-methyltetradecanamide
CID 175155192

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(6-methyltridecan-6-yl)prop-2-ynamide?
The IUPAC name of N-acetyl-N-(6-methyltridecan-6-yl)prop-2-ynamide (CID 146253988) is N-acetyl-N-(6-methyltridecan-6-yl)prop-2-ynamide.
What is the SMILES notation for N-acetyl-N-(6-methyltridecan-6-yl)prop-2-ynamide?
The canonical SMILES for N-acetyl-N-(6-methyltridecan-6-yl)prop-2-ynamide is C#CC(=O)N(C(C)=O)C(C)(CCCCC)CCCCCCC.
What is the InChIKey of N-acetyl-N-(6-methyltridecan-6-yl)prop-2-ynamide?
The InChIKey is RXKFAGGKRNKDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-6-9-11-12-14-16-19(5,15-13-10-7-2)20(17(4)21)18(22)8-3/h3H,6-7,9-16H2,1-2,4-5H3.
What are the key properties of N-acetyl-N-(6-methyltridecan-6-yl)prop-2-ynamide?
N-acetyl-N-(6-methyltridecan-6-yl)prop-2-ynamide has a molecular weight of 307.48 g/mol, XLogP of 4.69, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(6-methyltridecan-6-yl)prop-2-ynamide is sourced from PubChem (CID 146253988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).