N-(4-butyldecyl)formamide

C15H31NO — CID 166649158

IUPACN-(4-butyldecyl)formamide
SMILESCCCCCCC(CCCC)CCCNC=O
InChIInChI=1S/C15H31NO/c1-3-5-7-8-11-15(10-6-4-2)12-9-13-16-14-17/h14-15H,3-13H2,1-2H3,(H,16,17)
InChIKeyMWKJFFRZDJCFGG-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.29
Rot. Bonds13

About N-(4-butyldecyl)formamide

N-(4-butyldecyl)formamide (PubChem CID 166649158) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-(4-butyldecyl)formamide.

Molecular Properties

Compound NameN-(4-butyldecyl)formamide
PubChem CID166649158
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-(4-butyldecyl)formamide
SMILESCCCCCCC(CCCC)CCCNC=O
InChIInChI=1S/C15H31NO/c1-3-5-7-8-11-15(10-6-4-2)12-9-13-16-14-17/h14-15H,3-13H2,1-2H3,(H,16,17)
InChIKeyMWKJFFRZDJCFGG-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-butyldecyl)formamide 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-(5-heptyltridecyl)formamide
CID 166649045
N-tetracosylformamide
CID 54077607
N-pentacosylformamide
CID 88723962
N-(2-hexyldecyl)formamide
CID 54204817
ethane;N-pentylformamide
CID 145350301
N-butyl-4-hexyldocosan-1-amine
CID 172700029
N-[(Z)-4-hydroxydocos-13-enyl]formamide
CID 155296496
6-butylhenicosane
CID 91802566
13-butyldotriacontane
CID 91613083
14-butylheptatriacontane
CID 91361474
16-butylhentriacontane
CID 91509035
13-pentylheptacosane
CID 91387927

Frequently Asked Questions

What is the IUPAC name of N-(4-butyldecyl)formamide?
The IUPAC name of N-(4-butyldecyl)formamide (CID 166649158) is N-(4-butyldecyl)formamide.
What is the SMILES notation for N-(4-butyldecyl)formamide?
The canonical SMILES for N-(4-butyldecyl)formamide is CCCCCCC(CCCC)CCCNC=O.
What is the InChIKey of N-(4-butyldecyl)formamide?
The InChIKey is MWKJFFRZDJCFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-3-5-7-8-11-15(10-6-4-2)12-9-13-16-14-17/h14-15H,3-13H2,1-2H3,(H,16,17).
What are the key properties of N-(4-butyldecyl)formamide?
N-(4-butyldecyl)formamide has a molecular weight of 241.42 g/mol, XLogP of 4.29, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butyldecyl)formamide is sourced from PubChem (CID 166649158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).