N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methylcyclohexane-1-carboxamide

C16H31NO2 — CID 109380746

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NCC(C)(C)C(O)C(C)C)CC1
InChIInChI=1S/C16H31NO2/c1-11(2)14(18)16(4,5)10-17-15(19)13-8-6-12(3)7-9-13/h11-14,18H,6-10H2,1-5H3,(H,17,19)
InChIKeyJLSMHCSBJODCTQ-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.97
Rot. Bonds5

About N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methylcyclohexane-1-carboxamide

N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 109380746) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-4-methylcyclohexane-1-carboxamide
PubChem CID109380746
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NCC(C)(C)C(O)C(C)C)CC1
InChIInChI=1S/C16H31NO2/c1-11(2)14(18)16(4,5)10-17-15(19)13-8-6-12(3)7-9-13/h11-14,18H,6-10H2,1-5H3,(H,17,19)
InChIKeyJLSMHCSBJODCTQ-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 109381149
N-[2-(chloromethyl)-2-ethylbutyl]-4-methylcyclohexane-1-carboxamide
CID 114164566
4-(hydroxymethyl)-N-(2,2,3-trimethylbutyl)cyclohexane-1-carboxamide
CID 115151256
N-(5-bromo-2,2-dimethylpentyl)-4-methylcyclohexane-1-carboxamide
CID 114149740
N-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide
CID 107300527
1-(3,3-dimethylbutanoyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyrrolidine-2-carboxamide
CID 109380565
N-(3-hydroxy-2,2,4-trimethylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 109380896
N-(3,3-dimethyl-2-propan-2-ylbutyl)cyclopropanecarboxamide
CID 58124356
N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide
CID 123444332
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
2-hydroxy-3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one
CID 103456257
N-(3-hydroxy-2,2,4-trimethylpentyl)-2,2-dimethyl-3-(oxan-4-yl)propanamide
CID 109380750

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methylcyclohexane-1-carboxamide (CID 109380746) is N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)NCC(C)(C)C(O)C(C)C)CC1.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is JLSMHCSBJODCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-11(2)14(18)16(4,5)10-17-15(19)13-8-6-12(3)7-9-13/h11-14,18H,6-10H2,1-5H3,(H,17,19).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methylcyclohexane-1-carboxamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 109380746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).