N-(1-hydroxy-4,4-dimethylpentan-3-yl)cycloheptanecarboxamide

C15H29NO2 — CID 106353098

IUPACN-(1-hydroxy-4,4-dimethylpentan-3-yl)cycloheptanecarboxamide
SMILESCC(C)(C)C(CCO)NC(=O)C1CCCCCC1
InChIInChI=1S/C15H29NO2/c1-15(2,3)13(10-11-17)16-14(18)12-8-6-4-5-7-9-12/h12-13,17H,4-11H2,1-3H3,(H,16,18)
InChIKeyCSTNWLURGCOTQH-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.87
Rot. Bonds4

About N-(1-hydroxy-4,4-dimethylpentan-3-yl)cycloheptanecarboxamide

N-(1-hydroxy-4,4-dimethylpentan-3-yl)cycloheptanecarboxamide (PubChem CID 106353098) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-(1-hydroxy-4,4-dimethylpentan-3-yl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)cycloheptanecarboxamide
PubChem CID106353098
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)cycloheptanecarboxamide
SMILESCC(C)(C)C(CCO)NC(=O)C1CCCCCC1
InChIInChI=1S/C15H29NO2/c1-15(2,3)13(10-11-17)16-14(18)12-8-6-4-5-7-9-12/h12-13,17H,4-11H2,1-3H3,(H,16,18)
InChIKeyCSTNWLURGCOTQH-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclohexane-1-carboxamide
CID 114176946
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 106349918
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide
CID 106357091
N-(1-hydroxy-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103940908
(2R)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-oxopyrrolidine-2-carboxamide
CID 103941043
(1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid
CID 87203972
N-(2,2,6-trimethylheptan-3-yl)piperidine-3-carboxamide;hydrochloride
CID 119325328
N-(1-chloro-4,4-dimethylpentan-3-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 114177886
N-(5-aminohexan-2-yl)cyclohexanecarboxamide
CID 134308456
N-(4-hydroxybutan-2-yl)cyclopropanecarboxamide
CID 81042795
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopentanecarboxamide
CID 79247248

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)cycloheptanecarboxamide?
The IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)cycloheptanecarboxamide (CID 106353098) is N-(1-hydroxy-4,4-dimethylpentan-3-yl)cycloheptanecarboxamide.
What is the SMILES notation for N-(1-hydroxy-4,4-dimethylpentan-3-yl)cycloheptanecarboxamide?
The canonical SMILES for N-(1-hydroxy-4,4-dimethylpentan-3-yl)cycloheptanecarboxamide is CC(C)(C)C(CCO)NC(=O)C1CCCCCC1.
What is the InChIKey of N-(1-hydroxy-4,4-dimethylpentan-3-yl)cycloheptanecarboxamide?
The InChIKey is CSTNWLURGCOTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-15(2,3)13(10-11-17)16-14(18)12-8-6-4-5-7-9-12/h12-13,17H,4-11H2,1-3H3,(H,16,18).
What are the key properties of N-(1-hydroxy-4,4-dimethylpentan-3-yl)cycloheptanecarboxamide?
N-(1-hydroxy-4,4-dimethylpentan-3-yl)cycloheptanecarboxamide has a molecular weight of 255.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4,4-dimethylpentan-3-yl)cycloheptanecarboxamide is sourced from PubChem (CID 106353098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).