N-(3-hexadecoxy-2-hydroxypropyl)-15-hydroxy-N-(2-hydroxyethyl)pentadecanamide

C36H73NO5 — CID 139639964

IUPACN-(3-hexadecoxy-2-hydroxypropyl)-15-hydroxy-N-(2-hydroxyethyl)pentadecanamide
SMILESCCCCCCCCCCCCCCCCOCC(O)CN(CCO)C(=O)CCCCCCCCCCCCCCO
InChIInChI=1S/C36H73NO5/c1-2-3-4-5-6-7-8-9-12-15-18-21-24-27-32-42-34-35(40)33-37(29-31-39)36(41)28-25-22-19-16-13-10-11-14-17-20-23-26-30-38/h35,38-40H,2-34H2,1H3
InChIKeyAVVRLHOTWSOVRS-UHFFFAOYSA-N
MW599.98 g/mol
LogP8.73
Rot. Bonds35

About N-(3-hexadecoxy-2-hydroxypropyl)-15-hydroxy-N-(2-hydroxyethyl)pentadecanamide

N-(3-hexadecoxy-2-hydroxypropyl)-15-hydroxy-N-(2-hydroxyethyl)pentadecanamide (PubChem CID 139639964) has the molecular formula C36H73NO5 and a molecular weight of 599.98 g/mol. Its IUPAC name is N-(3-hexadecoxy-2-hydroxypropyl)-15-hydroxy-N-(2-hydroxyethyl)pentadecanamide.

Molecular Properties

Compound NameN-(3-hexadecoxy-2-hydroxypropyl)-15-hydroxy-N-(2-hydroxyethyl)pentadecanamide
PubChem CID139639964
Molecular FormulaC36H73NO5
Molecular Weight599.98 g/mol
Exact Mass599.55
IUPAC NameN-(3-hexadecoxy-2-hydroxypropyl)-15-hydroxy-N-(2-hydroxyethyl)pentadecanamide
SMILESCCCCCCCCCCCCCCCCOCC(O)CN(CCO)C(=O)CCCCCCCCCCCCCCO
InChIInChI=1S/C36H73NO5/c1-2-3-4-5-6-7-8-9-12-15-18-21-24-27-32-42-34-35(40)33-37(29-31-39)36(41)28-25-22-19-16-13-10-11-14-17-20-23-26-30-38/h35,38-40H,2-34H2,1H3
InChIKeyAVVRLHOTWSOVRS-UHFFFAOYSA-N
XLogP8.73
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds35
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.98
LogP ≤ 58.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydroxypropyl)-N-(3-hexadecoxy-2-hydroxypropyl)hexadecanamide
CID 19982435
N-(2-cyclobutylethyl)-N-(3-hexadecoxy-2-hydroxypropyl)decanamide
CID 155267999
N-(2-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide
CID 152732092
2-[docosanoyl-(2-hydroxy-3-octadecoxypropyl)amino]ethyl (9E,12E)-octadeca-9,12-dienoate
CID 10197443
2-ethylhexyl N-(3-hexadecoxy-2-hydroxypropyl)-N-(2-hydroxyethyl)carbamate
CID 54371323
1-[2-hydroxyethyl(methyl)amino]-3-tetradecoxypropan-2-ol
CID 19694651
N-(2,3-dihydroxypropyl)-N-hexadecylhexanamide
CID 18999305
1-hydroxy-8-[(2S)-2-hydroxyheptoxy]octan-2-one
CID 167292580
N-(3-hexadecoxy-2-hydroxypropyl)-N-[2-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]hexadecanamide
CID 57004280
N,N-diethyl-4-hexoxybutanamide
CID 176838101
5-(2-hydroxyheptadecoxy)pentanoic acid
CID 139709374
1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol
CID 165348602

Frequently Asked Questions

What is the IUPAC name of N-(3-hexadecoxy-2-hydroxypropyl)-15-hydroxy-N-(2-hydroxyethyl)pentadecanamide?
The IUPAC name of N-(3-hexadecoxy-2-hydroxypropyl)-15-hydroxy-N-(2-hydroxyethyl)pentadecanamide (CID 139639964) is N-(3-hexadecoxy-2-hydroxypropyl)-15-hydroxy-N-(2-hydroxyethyl)pentadecanamide.
What is the SMILES notation for N-(3-hexadecoxy-2-hydroxypropyl)-15-hydroxy-N-(2-hydroxyethyl)pentadecanamide?
The canonical SMILES for N-(3-hexadecoxy-2-hydroxypropyl)-15-hydroxy-N-(2-hydroxyethyl)pentadecanamide is CCCCCCCCCCCCCCCCOCC(O)CN(CCO)C(=O)CCCCCCCCCCCCCCO.
What is the InChIKey of N-(3-hexadecoxy-2-hydroxypropyl)-15-hydroxy-N-(2-hydroxyethyl)pentadecanamide?
The InChIKey is AVVRLHOTWSOVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H73NO5/c1-2-3-4-5-6-7-8-9-12-15-18-21-24-27-32-42-34-35(40)33-37(29-31-39)36(41)28-25-22-19-16-13-10-11-14-17-20-23-26-30-38/h35,38-40H,2-34H2,1H3.
What are the key properties of N-(3-hexadecoxy-2-hydroxypropyl)-15-hydroxy-N-(2-hydroxyethyl)pentadecanamide?
N-(3-hexadecoxy-2-hydroxypropyl)-15-hydroxy-N-(2-hydroxyethyl)pentadecanamide has a molecular weight of 599.98 g/mol, XLogP of 8.73, 35 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hexadecoxy-2-hydroxypropyl)-15-hydroxy-N-(2-hydroxyethyl)pentadecanamide is sourced from PubChem (CID 139639964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).