3-methyl-2-tetradecylhenicosanamide

C36H73NO — CID 175222412

IUPAC3-methyl-2-tetradecylhenicosanamide
SMILESCCCCCCCCCCCCCCCCCCC(C)C(CCCCCCCCCCCCCC)C(N)=O
InChIInChI=1S/C36H73NO/c1-4-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-34(3)35(36(37)38)33-31-29-27-25-23-17-15-13-11-9-7-5-2/h34-35H,4-33H2,1-3H3,(H2,37,38)
InChIKeyDFJMNJHRFLESCP-UHFFFAOYSA-N
MW535.99 g/mol
LogP12.47
Rot. Bonds32

About 3-methyl-2-tetradecylhenicosanamide

3-methyl-2-tetradecylhenicosanamide (PubChem CID 175222412) has the molecular formula C36H73NO and a molecular weight of 535.99 g/mol. Its IUPAC name is 3-methyl-2-tetradecylhenicosanamide.

Molecular Properties

Compound Name3-methyl-2-tetradecylhenicosanamide
PubChem CID175222412
Molecular FormulaC36H73NO
Molecular Weight535.99 g/mol
Exact Mass535.57
IUPAC Name3-methyl-2-tetradecylhenicosanamide
SMILESCCCCCCCCCCCCCCCCCCC(C)C(CCCCCCCCCCCCCC)C(N)=O
InChIInChI=1S/C36H73NO/c1-4-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-34(3)35(36(37)38)33-31-29-27-25-23-17-15-13-11-9-7-5-2/h34-35H,4-33H2,1-3H3,(H2,37,38)
InChIKeyDFJMNJHRFLESCP-UHFFFAOYSA-N
XLogP12.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds32
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.99
LogP ≤ 512.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-methyl-2-tetradecylhenicosanamide 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

(Z)-2-icosan-2-yldocos-13-enamide
CID 175222534
2-(1-aminoethyl)hexadecanamide
CID 18355676
5-carbamoyl-2-hexadecyl-4-methylhenicosanoic acid
CID 90389140
2-(1-hydroxypropan-2-yl)octadec-9-enamide
CID 173264917
2-[(1S)-1-aminopropyl]decanamide
CID 89316918
decyl 2-hexan-2-yltetradecanoate
CID 87072670
2-[1-(octadecanoylamino)ethyl]octadecanamide
CID 22720109
3-methyl-2,4-bis[(Z)-octadec-9-enyl]pentanediamide
CID 141159547
2-icosan-2-ylhexanedioic acid
CID 87918872
3-ethoxycarbonyl-4-methyloctadecanoic acid
CID 174727043
2-hexyloctanamide
CID 87302701
2-dodecylnonadecanamide
CID 175503182

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-tetradecylhenicosanamide?
The IUPAC name of 3-methyl-2-tetradecylhenicosanamide (CID 175222412) is 3-methyl-2-tetradecylhenicosanamide.
What is the SMILES notation for 3-methyl-2-tetradecylhenicosanamide?
The canonical SMILES for 3-methyl-2-tetradecylhenicosanamide is CCCCCCCCCCCCCCCCCCC(C)C(CCCCCCCCCCCCCC)C(N)=O.
What is the InChIKey of 3-methyl-2-tetradecylhenicosanamide?
The InChIKey is DFJMNJHRFLESCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H73NO/c1-4-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-34(3)35(36(37)38)33-31-29-27-25-23-17-15-13-11-9-7-5-2/h34-35H,4-33H2,1-3H3,(H2,37,38).
What are the key properties of 3-methyl-2-tetradecylhenicosanamide?
3-methyl-2-tetradecylhenicosanamide has a molecular weight of 535.99 g/mol, XLogP of 12.47, 32 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-tetradecylhenicosanamide is sourced from PubChem (CID 175222412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).