N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[[(1S,2S)-2-hydroxycyclohexyl]methyl]amino]octanamide

C63H125N3O3 — CID 172581306

IUPACN,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[[(1S,2S)-2-hydroxycyclohexyl]methyl]amino]octanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCCCN(CCCCCCCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)C[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C63H125N3O3/c1-5-9-13-17-21-25-35-45-55-65(56-46-36-26-22-18-14-10-6-2)62(68)51-39-31-29-33-43-53-64(59-60-49-41-42-50-61(60)67)54-44-34-30-32-40-52-63(69)66(57-47-37-27-23-19-15-11-7-3)58-48-38-28-24-20-16-12-8-4/h60-61,67H,5-59H2,1-4H3/t60-,61-/m0/s1
InChIKeyLSWVVPBFGJPNMA-OBXNHJGZSA-N
MW972.71 g/mol
LogP18.74
Rot. Bonds54

About N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[[(1S,2S)-2-hydroxycyclohexyl]methyl]amino]octanamide

N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[[(1S,2S)-2-hydroxycyclohexyl]methyl]amino]octanamide (PubChem CID 172581306) has the molecular formula C63H125N3O3 and a molecular weight of 972.71 g/mol. Its IUPAC name is N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[[(1S,2S)-2-hydroxycyclohexyl]methyl]amino]octanamide.

Molecular Properties

Compound NameN,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[[(1S,2S)-2-hydroxycyclohexyl]methyl]amino]octanamide
PubChem CID172581306
Molecular FormulaC63H125N3O3
Molecular Weight972.71 g/mol
Exact Mass971.97
IUPAC NameN,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[[(1S,2S)-2-hydroxycyclohexyl]methyl]amino]octanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCCCN(CCCCCCCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)C[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C63H125N3O3/c1-5-9-13-17-21-25-35-45-55-65(56-46-36-26-22-18-14-10-6-2)62(68)51-39-31-29-33-43-53-64(59-60-49-41-42-50-61(60)67)54-44-34-30-32-40-52-63(69)66(57-47-37-27-23-19-15-11-7-3)58-48-38-28-24-20-16-12-8-4/h60-61,67H,5-59H2,1-4H3/t60-,61-/m0/s1
InChIKeyLSWVVPBFGJPNMA-OBXNHJGZSA-N
XLogP18.74
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds54
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500972.71
LogP ≤ 518.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[[(1S,2S)-2-hydroxycyclohexyl]methyl]amino]octanamide 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,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[2-[(1S,2R)-2-hydroxycyclohexyl]ethyl]amino]octanamide
CID 172581109
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-di(nonyl)octanamide
CID 533141
N,N-dioctyltetradecanamide
CID 169083302
N-butyl-N-octyldecanamide
CID 18913402
N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-(2-hydroxycyclobutyl)amino]octanamide
CID 172581305
N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[(2R)-2-hydroxycyclobutyl]amino]octanamide
CID 172581321
4-bromo-N,N-didecylbutanamide
CID 168865726
N',N'-dioctylhexanediamide
CID 53437404
3-cyclopentyl-N,N-diheptylpropanamide
CID 532988
N,N-di(undecyl)pentanamide
CID 532896
N-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide
CID 169189818

Frequently Asked Questions

What is the IUPAC name of N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[[(1S,2S)-2-hydroxycyclohexyl]methyl]amino]octanamide?
The IUPAC name of N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[[(1S,2S)-2-hydroxycyclohexyl]methyl]amino]octanamide (CID 172581306) is N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[[(1S,2S)-2-hydroxycyclohexyl]methyl]amino]octanamide.
What is the SMILES notation for N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[[(1S,2S)-2-hydroxycyclohexyl]methyl]amino]octanamide?
The canonical SMILES for N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[[(1S,2S)-2-hydroxycyclohexyl]methyl]amino]octanamide is CCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCCCN(CCCCCCCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)C[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[[(1S,2S)-2-hydroxycyclohexyl]methyl]amino]octanamide?
The InChIKey is LSWVVPBFGJPNMA-OBXNHJGZSA-N. The full InChI is InChI=1S/C63H125N3O3/c1-5-9-13-17-21-25-35-45-55-65(56-46-36-26-22-18-14-10-6-2)62(68)51-39-31-29-33-43-53-64(59-60-49-41-42-50-61(60)67)54-44-34-30-32-40-52-63(69)66(57-47-37-27-23-19-15-11-7-3)58-48-38-28-24-20-16-12-8-4/h60-61,67H,5-59H2,1-4H3/t60-,61-/m0/s1.
What are the key properties of N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[[(1S,2S)-2-hydroxycyclohexyl]methyl]amino]octanamide?
N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[[(1S,2S)-2-hydroxycyclohexyl]methyl]amino]octanamide has a molecular weight of 972.71 g/mol, XLogP of 18.74, 54 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[[(1S,2S)-2-hydroxycyclohexyl]methyl]amino]octanamide is sourced from PubChem (CID 172581306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).