N-(2-hydroxy-3,3-dimethylbutyl)-1-methylcycloheptane-1-carboxamide

C15H29NO2 — CID 110027941

IUPACN-(2-hydroxy-3,3-dimethylbutyl)-1-methylcycloheptane-1-carboxamide
SMILESCC1(C(=O)NCC(O)C(C)(C)C)CCCCCC1
InChIInChI=1S/C15H29NO2/c1-14(2,3)12(17)11-16-13(18)15(4)9-7-5-6-8-10-15/h12,17H,5-11H2,1-4H3,(H,16,18)
InChIKeyNDEDSZFTDWIWRG-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.87
Rot. Bonds3

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

N-(2-hydroxy-3,3-dimethylbutyl)-1-methylcycloheptane-1-carboxamide (PubChem CID 110027941) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-(2-hydroxy-3,3-dimethylbutyl)-1-methylcycloheptane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3,3-dimethylbutyl)-1-methylcycloheptane-1-carboxamide
PubChem CID110027941
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-(2-hydroxy-3,3-dimethylbutyl)-1-methylcycloheptane-1-carboxamide
SMILESCC1(C(=O)NCC(O)C(C)(C)C)CCCCCC1
InChIInChI=1S/C15H29NO2/c1-14(2,3)12(17)11-16-13(18)15(4)9-7-5-6-8-10-15/h12,17H,5-11H2,1-4H3,(H,16,18)
InChIKeyNDEDSZFTDWIWRG-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-hydroxy-3-[(1-methylcyclohexanecarbonyl)amino]propanoic acid
CID 107833610
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CID 79039696
N-(4-bromo-2-methylbutyl)-1-methylcyclohexane-1-carboxamide
CID 106829044
N-[(2R)-2,3-dihydroxypropyl]-1-methylcyclopropane-1-carboxamide
CID 165476452
N-(2-iodoethyl)-1-methylcyclohexane-1-carboxamide
CID 106829059
N-(2-hydroxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide
CID 79040016
4-methyl-5-[(1-methylcyclopentanecarbonyl)amino]pentanoic acid
CID 82010362
N-(2,2-difluoroethyl)-1-methylcyclopropane-1-carboxamide
CID 126994567
N-(2-amino-2-phenylethyl)-1-methylcyclopentane-1-carboxamide;hydrochloride
CID 119529565
N-[(1-aminocyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 119404713
N-butyl-1-methylcyclohexane-1-carboxamide
CID 168924588
N-(2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
CID 63129926

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3,3-dimethylbutyl)-1-methylcycloheptane-1-carboxamide?
The IUPAC name of N-(2-hydroxy-3,3-dimethylbutyl)-1-methylcycloheptane-1-carboxamide (CID 110027941) is N-(2-hydroxy-3,3-dimethylbutyl)-1-methylcycloheptane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3,3-dimethylbutyl)-1-methylcycloheptane-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-3,3-dimethylbutyl)-1-methylcycloheptane-1-carboxamide is CC1(C(=O)NCC(O)C(C)(C)C)CCCCCC1.
What is the InChIKey of N-(2-hydroxy-3,3-dimethylbutyl)-1-methylcycloheptane-1-carboxamide?
The InChIKey is NDEDSZFTDWIWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-14(2,3)12(17)11-16-13(18)15(4)9-7-5-6-8-10-15/h12,17H,5-11H2,1-4H3,(H,16,18).
What are the key properties of N-(2-hydroxy-3,3-dimethylbutyl)-1-methylcycloheptane-1-carboxamide?
N-(2-hydroxy-3,3-dimethylbutyl)-1-methylcycloheptane-1-carboxamide has a molecular weight of 255.40 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3,3-dimethylbutyl)-1-methylcycloheptane-1-carboxamide is sourced from PubChem (CID 110027941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).