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

C64H127N3O3 — CID 172581109

IUPACN,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[2-[(1S,2R)-2-hydroxycyclohexyl]ethyl]amino]octanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCCCN(CCCCCCCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)CC[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C64H127N3O3/c1-5-9-13-17-21-25-35-45-56-66(57-46-36-26-22-18-14-10-6-2)63(69)51-39-31-29-33-43-54-65(60-53-61-49-41-42-50-62(61)68)55-44-34-30-32-40-52-64(70)67(58-47-37-27-23-19-15-11-7-3)59-48-38-28-24-20-16-12-8-4/h61-62,68H,5-60H2,1-4H3/t61-,62+/m0/s1
InChIKeyCJKMFMAMMSAVKI-GFDBJVIDSA-N
MW986.74 g/mol
LogP19.13
Rot. Bonds55

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

N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[2-[(1S,2R)-2-hydroxycyclohexyl]ethyl]amino]octanamide (PubChem CID 172581109) has the molecular formula C64H127N3O3 and a molecular weight of 986.74 g/mol. Its IUPAC name is N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[2-[(1S,2R)-2-hydroxycyclohexyl]ethyl]amino]octanamide.

Molecular Properties

Compound NameN,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[2-[(1S,2R)-2-hydroxycyclohexyl]ethyl]amino]octanamide
PubChem CID172581109
Molecular FormulaC64H127N3O3
Molecular Weight986.74 g/mol
Exact Mass985.99
IUPAC NameN,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[2-[(1S,2R)-2-hydroxycyclohexyl]ethyl]amino]octanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCCCN(CCCCCCCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)CC[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C64H127N3O3/c1-5-9-13-17-21-25-35-45-56-66(57-46-36-26-22-18-14-10-6-2)63(69)51-39-31-29-33-43-54-65(60-53-61-49-41-42-50-62(61)68)55-44-34-30-32-40-52-64(70)67(58-47-37-27-23-19-15-11-7-3)59-48-38-28-24-20-16-12-8-4/h61-62,68H,5-60H2,1-4H3/t61-,62+/m0/s1
InChIKeyCJKMFMAMMSAVKI-GFDBJVIDSA-N
XLogP19.13
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds55
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500986.74
LogP ≤ 519.13
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]-[2-[(1S,2R)-2-hydroxycyclohexyl]ethyl]amino]octanamide with MolForge

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Related Compounds

N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[[(1S,2S)-2-hydroxycyclohexyl]methyl]amino]octanamide
CID 172581306
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dioctyltetradecanamide
CID 169083302
3-cyclopentyl-N,N-diheptylpropanamide
CID 532988
N-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide
CID 169189818
N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-(5-hydroxypentyl)amino]hexanamide
CID 168943837
N-butyl-N-octyldecanamide
CID 18913402
3-cyclopentyl-N,N-dipentylpropanamide
CID 4248024
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
N',N'-dioctylhexanediamide
CID 53437404

Frequently Asked Questions

What is the IUPAC name of N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[2-[(1S,2R)-2-hydroxycyclohexyl]ethyl]amino]octanamide?
The IUPAC name of N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[2-[(1S,2R)-2-hydroxycyclohexyl]ethyl]amino]octanamide (CID 172581109) is N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[2-[(1S,2R)-2-hydroxycyclohexyl]ethyl]amino]octanamide.
What is the SMILES notation for N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[2-[(1S,2R)-2-hydroxycyclohexyl]ethyl]amino]octanamide?
The canonical SMILES for N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[2-[(1S,2R)-2-hydroxycyclohexyl]ethyl]amino]octanamide is CCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCCCN(CCCCCCCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)CC[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[2-[(1S,2R)-2-hydroxycyclohexyl]ethyl]amino]octanamide?
The InChIKey is CJKMFMAMMSAVKI-GFDBJVIDSA-N. The full InChI is InChI=1S/C64H127N3O3/c1-5-9-13-17-21-25-35-45-56-66(57-46-36-26-22-18-14-10-6-2)63(69)51-39-31-29-33-43-54-65(60-53-61-49-41-42-50-62(61)68)55-44-34-30-32-40-52-64(70)67(58-47-37-27-23-19-15-11-7-3)59-48-38-28-24-20-16-12-8-4/h61-62,68H,5-60H2,1-4H3/t61-,62+/m0/s1.
What are the key properties of N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[2-[(1S,2R)-2-hydroxycyclohexyl]ethyl]amino]octanamide?
N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[2-[(1S,2R)-2-hydroxycyclohexyl]ethyl]amino]octanamide has a molecular weight of 986.74 g/mol, XLogP of 19.13, 55 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]-[2-[(1S,2R)-2-hydroxycyclohexyl]ethyl]amino]octanamide is sourced from PubChem (CID 172581109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).