N-(2-hydroxycycloheptyl)-2,2-dimethylcyclohexane-1-carboxamide

C16H29NO2 — CID 107180446

IUPACN-(2-hydroxycycloheptyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC1(C)CCCCC1C(=O)NC1CCCCCC1O
InChIInChI=1S/C16H29NO2/c1-16(2)11-7-6-8-12(16)15(19)17-13-9-4-3-5-10-14(13)18/h12-14,18H,3-11H2,1-2H3,(H,17,19)
InChIKeyAQWNIAKHHWITPB-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.01
Rot. Bonds2

About N-(2-hydroxycycloheptyl)-2,2-dimethylcyclohexane-1-carboxamide

N-(2-hydroxycycloheptyl)-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107180446) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-(2-hydroxycycloheptyl)-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycycloheptyl)-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107180446
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-(2-hydroxycycloheptyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC1(C)CCCCC1C(=O)NC1CCCCCC1O
InChIInChI=1S/C16H29NO2/c1-16(2)11-7-6-8-12(16)15(19)17-13-9-4-3-5-10-14(13)18/h12-14,18H,3-11H2,1-2H3,(H,17,19)
InChIKeyAQWNIAKHHWITPB-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxycyclohexyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103855439
2-[(2,2-dimethylcyclohexanecarbonyl)amino]cycloheptane-1-carboxylic acid
CID 107175737
2-[(2,2-dimethylcyclopentanecarbonyl)amino]cycloheptane-1-carboxylic acid
CID 107175736
N-(2-aminocyclopentyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107180715
N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456
N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylcyclopentane-1-carboxamide
CID 104927764
N-[(1S,2S)-2-hydroxycyclooctyl]cyclopropanecarboxamide
CID 146041512
N-[(1S,2S)-2-hydroxycycloheptyl]acetamide
CID 101001127
cis-(1R,3S)-3-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114093239
3-[(2-hydroxycyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834681
2-[(2,2-dimethylcyclohexanecarbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 107175872
1-amino-N-(2-hydroxycycloheptyl)cyclohexane-1-carboxamide
CID 113394747

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycycloheptyl)-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-hydroxycycloheptyl)-2,2-dimethylcyclohexane-1-carboxamide (CID 107180446) is N-(2-hydroxycycloheptyl)-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxycycloheptyl)-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-hydroxycycloheptyl)-2,2-dimethylcyclohexane-1-carboxamide is CC1(C)CCCCC1C(=O)NC1CCCCCC1O.
What is the InChIKey of N-(2-hydroxycycloheptyl)-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is AQWNIAKHHWITPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-16(2)11-7-6-8-12(16)15(19)17-13-9-4-3-5-10-14(13)18/h12-14,18H,3-11H2,1-2H3,(H,17,19).
What are the key properties of N-(2-hydroxycycloheptyl)-2,2-dimethylcyclohexane-1-carboxamide?
N-(2-hydroxycycloheptyl)-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 267.41 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycycloheptyl)-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107180446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).