ethane;N-(3-hydroxypropyl)-5,5-dimethylhexanamide;molecular hydrogen

C13H31NO2 — CID 166490079

IUPACethane;N-(3-hydroxypropyl)-5,5-dimethylhexanamide;molecular hydrogen
SMILESCC.CC(C)(C)CCCC(=O)NCCCO.[H][H]
InChIInChI=1S/C11H23NO2.C2H6.H2/c1-11(2,3)7-4-6-10(14)12-8-5-9-13;1-2;/h13H,4-9H2,1-3H3,(H,12,14);1-2H3;1H
InChIKeyPLMZEYPAIPPTMH-UHFFFAOYSA-N
MW233.40 g/mol
LogP2.97
Rot. Bonds6

About ethane;N-(3-hydroxypropyl)-5,5-dimethylhexanamide;molecular hydrogen

ethane;N-(3-hydroxypropyl)-5,5-dimethylhexanamide;molecular hydrogen (PubChem CID 166490079) has the molecular formula C13H31NO2 and a molecular weight of 233.40 g/mol. Its IUPAC name is ethane;N-(3-hydroxypropyl)-5,5-dimethylhexanamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-(3-hydroxypropyl)-5,5-dimethylhexanamide;molecular hydrogen
PubChem CID166490079
Molecular FormulaC13H31NO2
Molecular Weight233.40 g/mol
Exact Mass233.24
IUPAC Nameethane;N-(3-hydroxypropyl)-5,5-dimethylhexanamide;molecular hydrogen
SMILESCC.CC(C)(C)CCCC(=O)NCCCO.[H][H]
InChIInChI=1S/C11H23NO2.C2H6.H2/c1-11(2,3)7-4-6-10(14)12-8-5-9-13;1-2;/h13H,4-9H2,1-3H3,(H,12,14);1-2H3;1H
InChIKeyPLMZEYPAIPPTMH-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
N-butyl-10,10-dimethylundecanamide
CID 19922141
N-ethyl-5,5-dimethylhexanamide
CID 121264886
4-hydroxy-N-[4-(4-hydroxybutanoylamino)butyl]butanamide
CID 6611551
N-[2-(ethylamino)ethyl]-5,5-dimethylhexanamide;hydrochloride
CID 119509534
N-(4,4-dimethylpentyl)-6-oxohexanamide
CID 171520123
N'-(7,7-dimethyloctyl)-N-methyldecanediamide
CID 167085333
N-decyl-7,7-dimethyloctanamide
CID 139961894
5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide
CID 156551412
3-amino-N-(5,5-dimethylhexyl)propanamide
CID 119318983
N-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide
CID 155298915

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-hydroxypropyl)-5,5-dimethylhexanamide;molecular hydrogen?
The IUPAC name of ethane;N-(3-hydroxypropyl)-5,5-dimethylhexanamide;molecular hydrogen (CID 166490079) is ethane;N-(3-hydroxypropyl)-5,5-dimethylhexanamide;molecular hydrogen.
What is the SMILES notation for ethane;N-(3-hydroxypropyl)-5,5-dimethylhexanamide;molecular hydrogen?
The canonical SMILES for ethane;N-(3-hydroxypropyl)-5,5-dimethylhexanamide;molecular hydrogen is CC.CC(C)(C)CCCC(=O)NCCCO.[H][H].
What is the InChIKey of ethane;N-(3-hydroxypropyl)-5,5-dimethylhexanamide;molecular hydrogen?
The InChIKey is PLMZEYPAIPPTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.C2H6.H2/c1-11(2,3)7-4-6-10(14)12-8-5-9-13;1-2;/h13H,4-9H2,1-3H3,(H,12,14);1-2H3;1H.
What are the key properties of ethane;N-(3-hydroxypropyl)-5,5-dimethylhexanamide;molecular hydrogen?
ethane;N-(3-hydroxypropyl)-5,5-dimethylhexanamide;molecular hydrogen has a molecular weight of 233.40 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-hydroxypropyl)-5,5-dimethylhexanamide;molecular hydrogen is sourced from PubChem (CID 166490079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).