2-cycloheptyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide

C16H31NO2 — CID 114458366

IUPAC2-cycloheptyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
SMILESCC(C)CC(C)(O)CNC(=O)CC1CCCCCC1
InChIInChI=1S/C16H31NO2/c1-13(2)11-16(3,19)12-17-15(18)10-14-8-6-4-5-7-9-14/h13-14,19H,4-12H2,1-3H3,(H,17,18)
InChIKeyKNLNDNGRRYKXGG-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.26
Rot. Bonds6

About 2-cycloheptyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide

2-cycloheptyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide (PubChem CID 114458366) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-cycloheptyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide.

Molecular Properties

Compound Name2-cycloheptyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
PubChem CID114458366
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-cycloheptyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
SMILESCC(C)CC(C)(O)CNC(=O)CC1CCCCCC1
InChIInChI=1S/C16H31NO2/c1-13(2)11-16(3,19)12-17-15(18)10-14-8-6-4-5-7-9-14/h13-14,19H,4-12H2,1-3H3,(H,17,18)
InChIKeyKNLNDNGRRYKXGG-UHFFFAOYSA-N
XLogP3.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-cyclobutylacetyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 103162007
2-cycloheptyl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 115681303
N-(2-hydroxy-2,4-dimethylpentyl)-2,2-dimethylpropanamide
CID 66180259
2-cycloheptyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 103884693
2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 114458404
2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid
CID 115910343
3-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide
CID 66174277
2-cyclopentyl-N-(2-hydroxypropyl)acetamide
CID 60654176
N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66178352
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66172265
2-cyclohexyl-N-[2-(methylamino)propyl]acetamide
CID 103512587
N-(2-amino-2-ethylbutyl)-2-cyclopentylacetamide
CID 81424334

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
The IUPAC name of 2-cycloheptyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide (CID 114458366) is 2-cycloheptyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide.
What is the SMILES notation for 2-cycloheptyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
The canonical SMILES for 2-cycloheptyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide is CC(C)CC(C)(O)CNC(=O)CC1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
The InChIKey is KNLNDNGRRYKXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-13(2)11-16(3,19)12-17-15(18)10-14-8-6-4-5-7-9-14/h13-14,19H,4-12H2,1-3H3,(H,17,18).
What are the key properties of 2-cycloheptyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
2-cycloheptyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide has a molecular weight of 269.43 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide is sourced from PubChem (CID 114458366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).