N-(1-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide

C14H27NO2 — CID 62588514

IUPACN-(1-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide
SMILESCC(C)CC(CO)NC(=O)C1CCCCCC1
InChIInChI=1S/C14H27NO2/c1-11(2)9-13(10-16)15-14(17)12-7-5-3-4-6-8-12/h11-13,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyOBSDLWAOXJERSU-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.48
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide

N-(1-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide (PubChem CID 62588514) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide
PubChem CID62588514
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide
SMILESCC(C)CC(CO)NC(=O)C1CCCCCC1
InChIInChI=1S/C14H27NO2/c1-11(2)9-13(10-16)15-14(17)12-7-5-3-4-6-8-12/h11-13,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyOBSDLWAOXJERSU-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)cyclopropanecarboxamide
CID 61246468
N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 63755259
N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride
CID 119260890
N-(1-chloro-4-methylpentan-2-yl)cyclooctanecarboxamide
CID 113272544
N-(1-hydroxy-4-methylpentan-2-yl)piperidine-4-carboxamide
CID 61246607
N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide
CID 854995
N-(1-hydroxy-4-methylpentan-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 61246188
N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159057
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159056
2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
2-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61247343

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide (CID 62588514) is N-(1-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide is CC(C)CC(CO)NC(=O)C1CCCCCC1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide?
The InChIKey is OBSDLWAOXJERSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)9-13(10-16)15-14(17)12-7-5-3-4-6-8-12/h11-13,16H,3-10H2,1-2H3,(H,15,17).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide has a molecular weight of 241.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide is sourced from PubChem (CID 62588514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).