N,N-bis(2-ethylhexyl)-4-hydroxyhexanamide

C22H45NO2 — CID 71406649

IUPACN,N-bis(2-ethylhexyl)-4-hydroxyhexanamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)CCC(O)CC
InChIInChI=1S/C22H45NO2/c1-6-11-13-19(8-3)17-23(18-20(9-4)14-12-7-2)22(25)16-15-21(24)10-5/h19-21,24H,6-18H2,1-5H3
InChIKeyNHMJCWKERKOZML-UHFFFAOYSA-N
MW355.61 g/mol
LogP5.80
Rot. Bonds16

About N,N-bis(2-ethylhexyl)-4-hydroxyhexanamide

N,N-bis(2-ethylhexyl)-4-hydroxyhexanamide (PubChem CID 71406649) has the molecular formula C22H45NO2 and a molecular weight of 355.61 g/mol. Its IUPAC name is N,N-bis(2-ethylhexyl)-4-hydroxyhexanamide.

Molecular Properties

Compound NameN,N-bis(2-ethylhexyl)-4-hydroxyhexanamide
PubChem CID71406649
Molecular FormulaC22H45NO2
Molecular Weight355.61 g/mol
Exact Mass355.35
IUPAC NameN,N-bis(2-ethylhexyl)-4-hydroxyhexanamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)CCC(O)CC
InChIInChI=1S/C22H45NO2/c1-6-11-13-19(8-3)17-23(18-20(9-4)14-12-7-2)22(25)16-15-21(24)10-5/h19-21,24H,6-18H2,1-5H3
InChIKeyNHMJCWKERKOZML-UHFFFAOYSA-N
XLogP5.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.61
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R)-4-hydroxy-2,5-dimethyl-N,N-di(propan-2-yl)hexanamide
CID 134905813
(2S,4S)-4-hydroxy-2,5-dimethyl-N,N-di(propan-2-yl)hexanamide
CID 134975617
2-butyl-N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)hexanamide
CID 10194284
1-(3-Hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadecan-1-one
CID 21297912
4-hydroxy-2-methyl-N,N-dioctadecylbutanamide
CID 21362214
7-[Acetyl(4-hydroxynonyl)amino]-3-methylheptanoic acid
CID 21503959
ethane;N-ethyl-N-(3-ethylpentan-2-yl)-3-(hydroxymethyl)-2,4-dimethylpentanamide
CID 54040968
(4S)-N-cyclohexyl-4-hydroxy-N-[(2S)-2-methylbutyl]-2-propan-2-ylhexanamide
CID 54526125
N,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadecanamide
CID 57212086
2-ethyl-N,N-bis(3-hydroxy-2,2-dimethylpropyl)hexanamide
CID 57291591
N,N-diethyl-cis-3-hydroxycyclobutane carboxamide
CID 57697391
2-butyl-N,N-bis(2-hydroxypropyl)octanamide
CID 87268959

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethylhexyl)-4-hydroxyhexanamide?
The IUPAC name of N,N-bis(2-ethylhexyl)-4-hydroxyhexanamide (CID 71406649) is N,N-bis(2-ethylhexyl)-4-hydroxyhexanamide.
What is the SMILES notation for N,N-bis(2-ethylhexyl)-4-hydroxyhexanamide?
The canonical SMILES for N,N-bis(2-ethylhexyl)-4-hydroxyhexanamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)CCC(O)CC.
What is the InChIKey of N,N-bis(2-ethylhexyl)-4-hydroxyhexanamide?
The InChIKey is NHMJCWKERKOZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO2/c1-6-11-13-19(8-3)17-23(18-20(9-4)14-12-7-2)22(25)16-15-21(24)10-5/h19-21,24H,6-18H2,1-5H3.
What are the key properties of N,N-bis(2-ethylhexyl)-4-hydroxyhexanamide?
N,N-bis(2-ethylhexyl)-4-hydroxyhexanamide has a molecular weight of 355.61 g/mol, XLogP of 5.80, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethylhexyl)-4-hydroxyhexanamide is sourced from PubChem (CID 71406649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).