2-butyl-N-methyloctanamide;9,10-dihydroxy-N-methylheptadecanamide;N,17-dimethyloctadecanamide;12-hydroxy-N-methyloctadecanamide

C70H144N4O7 — CID 159088977

IUPAC2-butyl-N-methyloctanamide;9,10-dihydroxy-N-methylheptadecanamide;N,17-dimethyloctadecanamide;12-hydroxy-N-methyloctadecanamide
SMILESCCCCCCC(CCCC)C(=O)NC.CCCCCCC(O)CCCCCCCCCCC(=O)NC.CCCCCCCC(O)C(O)CCCCCCCC(=O)NC.CNC(=O)CCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C20H41NO.C19H39NO2.C18H37NO3.C13H27NO/c1-19(2)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20(22)21-3;1-3-4-5-12-15-18(21)16-13-10-8-6-7-9-11-14-17-19(22)20-2;1-3-4-5-7-10-13-16(20)17(21)14-11-8-6-9-12-15-18(22)19-2;1-4-6-8-9-11-12(10-7-5-2)13(15)14-3/h19H,4-18H2,1-3H3,(H,21,22);18,21H,3-17H2,1-2H3,(H,20,22);16-17,20-21H,3-15H2,1-2H3,(H,19,22);12H,4-11H2,1-3H3,(H,14,15)
InChIKeyKBUVBCYDUIYGOC-UHFFFAOYSA-N
MW1153.94 g/mol
LogP18.26
Rot. Bonds56

About 2-butyl-N-methyloctanamide;9,10-dihydroxy-N-methylheptadecanamide;N,17-dimethyloctadecanamide;12-hydroxy-N-methyloctadecanamide

2-butyl-N-methyloctanamide;9,10-dihydroxy-N-methylheptadecanamide;N,17-dimethyloctadecanamide;12-hydroxy-N-methyloctadecanamide (PubChem CID 159088977) has the molecular formula C70H144N4O7 and a molecular weight of 1153.94 g/mol. Its IUPAC name is 2-butyl-N-methyloctanamide;9,10-dihydroxy-N-methylheptadecanamide;N,17-dimethyloctadecanamide;12-hydroxy-N-methyloctadecanamide.

Molecular Properties

Compound Name2-butyl-N-methyloctanamide;9,10-dihydroxy-N-methylheptadecanamide;N,17-dimethyloctadecanamide;12-hydroxy-N-methyloctadecanamide
PubChem CID159088977
Molecular FormulaC70H144N4O7
Molecular Weight1153.94 g/mol
Exact Mass1153.10
IUPAC Name2-butyl-N-methyloctanamide;9,10-dihydroxy-N-methylheptadecanamide;N,17-dimethyloctadecanamide;12-hydroxy-N-methyloctadecanamide
SMILESCCCCCCC(CCCC)C(=O)NC.CCCCCCC(O)CCCCCCCCCCC(=O)NC.CCCCCCCC(O)C(O)CCCCCCCC(=O)NC.CNC(=O)CCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C20H41NO.C19H39NO2.C18H37NO3.C13H27NO/c1-19(2)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20(22)21-3;1-3-4-5-12-15-18(21)16-13-10-8-6-7-9-11-14-17-19(22)20-2;1-3-4-5-7-10-13-16(20)17(21)14-11-8-6-9-12-15-18(22)19-2;1-4-6-8-9-11-12(10-7-5-2)13(15)14-3/h19H,4-18H2,1-3H3,(H,21,22);18,21H,3-17H2,1-2H3,(H,20,22);16-17,20-21H,3-15H2,1-2H3,(H,19,22);12H,4-11H2,1-3H3,(H,14,15)
InChIKeyKBUVBCYDUIYGOC-UHFFFAOYSA-N
XLogP18.26
TPSA177.09 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds56
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001153.94
LogP ≤ 518.26
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-butyl-N-methyloctanamide;9,10-dihydroxy-N-methylheptadecanamide;N,17-dimethyloctadecanamide;12-hydroxy-N-methyloctadecanamide 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

5-hydroxy-N-methylundecanamide
CID 12996608
icosan-9-ol;16-methylheptadecanoic acid
CID 159681900
N,7-dimethyloctanamide;molecular hydrogen
CID 164603110
N-methylheptacosanamide
CID 18175889
16-methylheptadecane-7,8-diol
CID 118508542
N-methylnonadecanamide
CID 2724821
N-methylundecanamide
CID 23297450
N,10-dihydroxyoctadecanamide
CID 146268733
2-ethyl-N-methyltetradecanamide
CID 161072731
12-hydroxy-N-(2-hydroxyhexyl)octadecanamide
CID 22735081
ethane;N-methyltetradecanamide
CID 153349961
2-butyl-N-(3-methylbutyl)octanamide
CID 167250980

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-methyloctanamide;9,10-dihydroxy-N-methylheptadecanamide;N,17-dimethyloctadecanamide;12-hydroxy-N-methyloctadecanamide?
The IUPAC name of 2-butyl-N-methyloctanamide;9,10-dihydroxy-N-methylheptadecanamide;N,17-dimethyloctadecanamide;12-hydroxy-N-methyloctadecanamide (CID 159088977) is 2-butyl-N-methyloctanamide;9,10-dihydroxy-N-methylheptadecanamide;N,17-dimethyloctadecanamide;12-hydroxy-N-methyloctadecanamide.
What is the SMILES notation for 2-butyl-N-methyloctanamide;9,10-dihydroxy-N-methylheptadecanamide;N,17-dimethyloctadecanamide;12-hydroxy-N-methyloctadecanamide?
The canonical SMILES for 2-butyl-N-methyloctanamide;9,10-dihydroxy-N-methylheptadecanamide;N,17-dimethyloctadecanamide;12-hydroxy-N-methyloctadecanamide is CCCCCCC(CCCC)C(=O)NC.CCCCCCC(O)CCCCCCCCCCC(=O)NC.CCCCCCCC(O)C(O)CCCCCCCC(=O)NC.CNC(=O)CCCCCCCCCCCCCCCC(C)C.
What is the InChIKey of 2-butyl-N-methyloctanamide;9,10-dihydroxy-N-methylheptadecanamide;N,17-dimethyloctadecanamide;12-hydroxy-N-methyloctadecanamide?
The InChIKey is KBUVBCYDUIYGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO.C19H39NO2.C18H37NO3.C13H27NO/c1-19(2)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20(22)21-3;1-3-4-5-12-15-18(21)16-13-10-8-6-7-9-11-14-17-19(22)20-2;1-3-4-5-7-10-13-16(20)17(21)14-11-8-6-9-12-15-18(22)19-2;1-4-6-8-9-11-12(10-7-5-2)13(15)14-3/h19H,4-18H2,1-3H3,(H,21,22);18,21H,3-17H2,1-2H3,(H,20,22);16-17,20-21H,3-15H2,1-2H3,(H,19,22);12H,4-11H2,1-3H3,(H,14,15).
What are the key properties of 2-butyl-N-methyloctanamide;9,10-dihydroxy-N-methylheptadecanamide;N,17-dimethyloctadecanamide;12-hydroxy-N-methyloctadecanamide?
2-butyl-N-methyloctanamide;9,10-dihydroxy-N-methylheptadecanamide;N,17-dimethyloctadecanamide;12-hydroxy-N-methyloctadecanamide has a molecular weight of 1153.94 g/mol, XLogP of 18.26, 56 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-methyloctanamide;9,10-dihydroxy-N-methylheptadecanamide;N,17-dimethyloctadecanamide;12-hydroxy-N-methyloctadecanamide is sourced from PubChem (CID 159088977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).