N-(2-hydroxy-2,3-dimethylbutyl)-3,5-dimethylcyclohexane-1-carboxamide

C15H29NO2 — CID 110021339

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-3,5-dimethylcyclohexane-1-carboxamide
SMILESCC1CC(C)CC(C(=O)NCC(C)(O)C(C)C)C1
InChIInChI=1S/C15H29NO2/c1-10(2)15(5,18)9-16-14(17)13-7-11(3)6-12(4)8-13/h10-13,18H,6-9H2,1-5H3,(H,16,17)
InChIKeyRDWJBSBUOZFUNQ-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.58
Rot. Bonds4

About N-(2-hydroxy-2,3-dimethylbutyl)-3,5-dimethylcyclohexane-1-carboxamide

N-(2-hydroxy-2,3-dimethylbutyl)-3,5-dimethylcyclohexane-1-carboxamide (PubChem CID 110021339) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-3,5-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-3,5-dimethylcyclohexane-1-carboxamide
PubChem CID110021339
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-3,5-dimethylcyclohexane-1-carboxamide
SMILESCC1CC(C)CC(C(=O)NCC(C)(O)C(C)C)C1
InChIInChI=1S/C15H29NO2/c1-10(2)15(5,18)9-16-14(17)13-7-11(3)6-12(4)8-13/h10-13,18H,6-9H2,1-5H3,(H,16,17)
InChIKeyRDWJBSBUOZFUNQ-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propyl]-3-methylcyclobutane-1-carboxamide
CID 84586419
N-(2-amino-2-methylpropyl)-3-methylcyclobutane-1-carboxamide
CID 130652190
2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propanoic acid
CID 115910003
N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide
CID 114493669
N-hydroxy-3,5-dimethylcyclohexane-1-carboxamide
CID 131134005
1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120987
3,5-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 127783603
N-(2-hydroxy-2,3-dimethylpentyl)cyclopentanecarboxamide
CID 111463685
N-(2-hydroxy-2,3-dimethylbutyl)adamantane-1-carboxamide
CID 111483676
N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
CID 131134003
N-(2-hydroxy-2-methylpropyl)cyclohexanecarboxamide
CID 65109688
1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 111120835

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-3,5-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-3,5-dimethylcyclohexane-1-carboxamide (CID 110021339) is N-(2-hydroxy-2,3-dimethylbutyl)-3,5-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-3,5-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-3,5-dimethylcyclohexane-1-carboxamide is CC1CC(C)CC(C(=O)NCC(C)(O)C(C)C)C1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-3,5-dimethylcyclohexane-1-carboxamide?
The InChIKey is RDWJBSBUOZFUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-10(2)15(5,18)9-16-14(17)13-7-11(3)6-12(4)8-13/h10-13,18H,6-9H2,1-5H3,(H,16,17).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-3,5-dimethylcyclohexane-1-carboxamide?
N-(2-hydroxy-2,3-dimethylbutyl)-3,5-dimethylcyclohexane-1-carboxamide has a molecular weight of 255.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-3,5-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 110021339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).