N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[(3S,4R)-3-hydroxyoxan-4-yl]amino]octanamide

C61H121N3O4 — CID 172581154

IUPACN,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[(3S,4R)-3-hydroxyoxan-4-yl]amino]octanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCCCN(CCCCCCCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)[C@@H]1CCOC[C@H]1O
InChIInChI=1S/C61H121N3O4/c1-5-9-13-17-21-25-33-43-52-63(53-44-34-26-22-18-14-10-6-2)60(66)47-39-31-29-37-41-50-62(58-49-56-68-57-59(58)65)51-42-38-30-32-40-48-61(67)64(54-45-35-27-23-19-15-11-7-3)55-46-36-28-24-20-16-12-8-4/h58-59,65H,5-57H2,1-4H3/t58-,59-/m1/s1
InChIKeyALKMGNYRBGSMOS-LPSHHRBJSA-N
MW960.66 g/mol
LogP17.34
Rot. Bonds53

About N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[(3S,4R)-3-hydroxyoxan-4-yl]amino]octanamide

N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[(3S,4R)-3-hydroxyoxan-4-yl]amino]octanamide (PubChem CID 172581154) has the molecular formula C61H121N3O4 and a molecular weight of 960.66 g/mol. Its IUPAC name is N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[(3S,4R)-3-hydroxyoxan-4-yl]amino]octanamide.

Molecular Properties

Compound NameN,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[(3S,4R)-3-hydroxyoxan-4-yl]amino]octanamide
PubChem CID172581154
Molecular FormulaC61H121N3O4
Molecular Weight960.66 g/mol
Exact Mass959.94
IUPAC NameN,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[(3S,4R)-3-hydroxyoxan-4-yl]amino]octanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCCCN(CCCCCCCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)[C@@H]1CCOC[C@H]1O
InChIInChI=1S/C61H121N3O4/c1-5-9-13-17-21-25-33-43-52-63(53-44-34-26-22-18-14-10-6-2)60(66)47-39-31-29-37-41-50-62(58-49-56-68-57-59(58)65)51-42-38-30-32-40-48-61(67)64(54-45-35-27-23-19-15-11-7-3)55-46-36-28-24-20-16-12-8-4/h58-59,65H,5-57H2,1-4H3/t58-,59-/m1/s1
InChIKeyALKMGNYRBGSMOS-LPSHHRBJSA-N
XLogP17.34
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds53
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500960.66
LogP ≤ 517.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[(3S,4R)-3-hydroxyoxan-4-yl]amino]octanamide with MolForge

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Related Compounds

N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[(3S,4S)-3-hydroxyoxan-4-yl]amino]octanamide
CID 172581204
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-dodecyl-8-[[8-[dodecyl(octyl)amino]-8-oxooctyl]-(4-hydroxycyclohexyl)amino]-N-octyloctanamide
CID 172581108
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-di(undecyl)pentanamide
CID 532896
N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[[(1S,2S)-2-hydroxycyclohexyl]methyl]amino]octanamide
CID 172581306
N,N-bis[3-(dimethylamino)propyl]decanamide
CID 86204992
N',N'-dioctylhexanediamide
CID 53437404

Frequently Asked Questions

What is the IUPAC name of N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[(3S,4R)-3-hydroxyoxan-4-yl]amino]octanamide?
The IUPAC name of N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[(3S,4R)-3-hydroxyoxan-4-yl]amino]octanamide (CID 172581154) is N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[(3S,4R)-3-hydroxyoxan-4-yl]amino]octanamide.
What is the SMILES notation for N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[(3S,4R)-3-hydroxyoxan-4-yl]amino]octanamide?
The canonical SMILES for N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[(3S,4R)-3-hydroxyoxan-4-yl]amino]octanamide is CCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCCCN(CCCCCCCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)[C@@H]1CCOC[C@H]1O.
What is the InChIKey of N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[(3S,4R)-3-hydroxyoxan-4-yl]amino]octanamide?
The InChIKey is ALKMGNYRBGSMOS-LPSHHRBJSA-N. The full InChI is InChI=1S/C61H121N3O4/c1-5-9-13-17-21-25-33-43-52-63(53-44-34-26-22-18-14-10-6-2)60(66)47-39-31-29-37-41-50-62(58-49-56-68-57-59(58)65)51-42-38-30-32-40-48-61(67)64(54-45-35-27-23-19-15-11-7-3)55-46-36-28-24-20-16-12-8-4/h58-59,65H,5-57H2,1-4H3/t58-,59-/m1/s1.
What are the key properties of N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[(3S,4R)-3-hydroxyoxan-4-yl]amino]octanamide?
N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[(3S,4R)-3-hydroxyoxan-4-yl]amino]octanamide has a molecular weight of 960.66 g/mol, XLogP of 17.34, 53 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-didecyl-8-[[8-(didecylamino)-8-oxooctyl]-[(3S,4R)-3-hydroxyoxan-4-yl]amino]octanamide is sourced from PubChem (CID 172581154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).