N-(2,7-dimethyloxepan-4-yl)acetamide

C10H19NO2 — CID 175623510

IUPACN-(2,7-dimethyloxepan-4-yl)acetamide
SMILESCC(=O)NC1CCC(C)OC(C)C1
InChIInChI=1S/C10H19NO2/c1-7-4-5-10(11-9(3)12)6-8(2)13-7/h7-8,10H,4-6H2,1-3H3,(H,11,12)
InChIKeySHRHKMBOCXFNTK-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.47
Rot. Bonds1

About N-(2,7-dimethyloxepan-4-yl)acetamide

N-(2,7-dimethyloxepan-4-yl)acetamide (PubChem CID 175623510) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(2,7-dimethyloxepan-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,7-dimethyloxepan-4-yl)acetamide
PubChem CID175623510
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-(2,7-dimethyloxepan-4-yl)acetamide
SMILESCC(=O)NC1CCC(C)OC(C)C1
InChIInChI=1S/C10H19NO2/c1-7-4-5-10(11-9(3)12)6-8(2)13-7/h7-8,10H,4-6H2,1-3H3,(H,11,12)
InChIKeySHRHKMBOCXFNTK-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
CID 106320767
N-[(1R,3S)-3-(methylamino)cyclopentyl]acetamide
CID 139574017
N-(3,6-dimethylcycloheptyl)acetamide
CID 89468976
(2S,6S)-N-cyclopropyl-2,6-dimethyloxan-4-amine
CID 97358274
2-chloro-N-(2,6-dimethyloxan-4-yl)prop-2-enamide
CID 164661015
N-cyclopropyl-2-[(2,6-dimethyloxan-4-yl)amino]propanamide
CID 113406722
N-[(3S)-3-methylcyclohexyl]acetamide
CID 143244343
N-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]acetamide
CID 131102398
N-[(1R,3R)-3-(dimethylamino)cyclopentyl]acetamide
CID 131085914
N-[(1R,3S)-3-(tert-butylamino)cyclopentyl]acetamide
CID 139573847
methyl 3-acetamidocyclopentane-1-carboxylate
CID 67383463
ethane;N-(3-methylcyclohexyl)acetamide
CID 156753874

Frequently Asked Questions

What is the IUPAC name of N-(2,7-dimethyloxepan-4-yl)acetamide?
The IUPAC name of N-(2,7-dimethyloxepan-4-yl)acetamide (CID 175623510) is N-(2,7-dimethyloxepan-4-yl)acetamide.
What is the SMILES notation for N-(2,7-dimethyloxepan-4-yl)acetamide?
The canonical SMILES for N-(2,7-dimethyloxepan-4-yl)acetamide is CC(=O)NC1CCC(C)OC(C)C1.
What is the InChIKey of N-(2,7-dimethyloxepan-4-yl)acetamide?
The InChIKey is SHRHKMBOCXFNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7-4-5-10(11-9(3)12)6-8(2)13-7/h7-8,10H,4-6H2,1-3H3,(H,11,12).
What are the key properties of N-(2,7-dimethyloxepan-4-yl)acetamide?
N-(2,7-dimethyloxepan-4-yl)acetamide has a molecular weight of 185.27 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,7-dimethyloxepan-4-yl)acetamide is sourced from PubChem (CID 175623510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).