N-[(1-hydroxycycloheptyl)methyl]-2,2-dimethylbutanamide

C14H27NO2 — CID 56793427

IUPACN-[(1-hydroxycycloheptyl)methyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C14H27NO2/c1-4-13(2,3)12(16)15-11-14(17)9-7-5-6-8-10-14/h17H,4-11H2,1-3H3,(H,15,16)
InChIKeyIFKPOAHFFQJKMU-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.62
Rot. Bonds4

About N-[(1-hydroxycycloheptyl)methyl]-2,2-dimethylbutanamide

N-[(1-hydroxycycloheptyl)methyl]-2,2-dimethylbutanamide (PubChem CID 56793427) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]-2,2-dimethylbutanamide
PubChem CID56793427
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C14H27NO2/c1-4-13(2,3)12(16)15-11-14(17)9-7-5-6-8-10-14/h17H,4-11H2,1-3H3,(H,15,16)
InChIKeyIFKPOAHFFQJKMU-UHFFFAOYSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 114328802
2-amino-3,3,3-trifluoro-N-[(1-hydroxycycloheptyl)methyl]-2-methylpropanamide
CID 79811142
2-amino-2-cyclopropyl-N-[(1-hydroxycycloheptyl)methyl]propanamide
CID 65122341
N-[(1-hydroxycycloheptyl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide
CID 111538987
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2,2-dimethylbutanamide
CID 114758463
2-amino-N-[(1-hydroxycycloheptyl)methyl]-2-phenylpropanamide
CID 65122706
N-[1-(hydroxymethyl)cyclopentyl]-2,2-dimethylbutanamide
CID 62679590
2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide
CID 77056764
N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519
2-(2-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 111446209
2-amino-N-[(1-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
CID 77210747
N-[(1-hydroxycyclopentyl)methyl]-2-methylsulfonylpropanamide
CID 115626883

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-2,2-dimethylbutanamide (CID 56793427) is N-[(1-hydroxycycloheptyl)methyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NCC1(O)CCCCCC1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]-2,2-dimethylbutanamide?
The InChIKey is IFKPOAHFFQJKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-13(2,3)12(16)15-11-14(17)9-7-5-6-8-10-14/h17H,4-11H2,1-3H3,(H,15,16).
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]-2,2-dimethylbutanamide?
N-[(1-hydroxycycloheptyl)methyl]-2,2-dimethylbutanamide has a molecular weight of 241.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 56793427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).