2-cyclohexyl-N-(2-methoxy-2-phenylbutyl)acetamide

C19H29NO2 — CID 90599459

IUPAC2-cyclohexyl-N-(2-methoxy-2-phenylbutyl)acetamide
SMILESCCC(CNC(=O)CC1CCCCC1)(OC)c1ccccc1
InChIInChI=1S/C19H29NO2/c1-3-19(22-2,17-12-8-5-9-13-17)15-20-18(21)14-16-10-6-4-7-11-16/h5,8-9,12-13,16H,3-4,6-7,10-11,14-15H2,1-2H3,(H,20,21)
InChIKeyKKKMLBSLQWPEAK-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.02
Rot. Bonds7

About 2-cyclohexyl-N-(2-methoxy-2-phenylbutyl)acetamide

2-cyclohexyl-N-(2-methoxy-2-phenylbutyl)acetamide (PubChem CID 90599459) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-cyclohexyl-N-(2-methoxy-2-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(2-methoxy-2-phenylbutyl)acetamide
PubChem CID90599459
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name2-cyclohexyl-N-(2-methoxy-2-phenylbutyl)acetamide
SMILESCCC(CNC(=O)CC1CCCCC1)(OC)c1ccccc1
InChIInChI=1S/C19H29NO2/c1-3-19(22-2,17-12-8-5-9-13-17)15-20-18(21)14-16-10-6-4-7-11-16/h5,8-9,12-13,16H,3-4,6-7,10-11,14-15H2,1-2H3,(H,20,21)
InChIKeyKKKMLBSLQWPEAK-UHFFFAOYSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxy-2-phenylbutyl)cyclopropanecarboxamide
CID 71810719
3-[(2-cyclohexylacetyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120700962
2-ethoxy-N-[(2S)-2-methoxy-2-phenylbutyl]acetamide
CID 97428557
2-cyclohexyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 90599072
2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid
CID 115910343
N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide
CID 97428577
2-cycloheptyl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 115681303
N-(2-amino-2-ethylbutyl)-2-cyclopentylacetamide
CID 81424334
2-cyclopentyl-N-(1,1-diphenylethyl)acetamide
CID 56522804
2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 71810728
2-cyclohexyl-N-(1-hydroxy-2-phenylpropan-2-yl)acetamide
CID 105058964
N-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide
CID 90599562

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(2-methoxy-2-phenylbutyl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(2-methoxy-2-phenylbutyl)acetamide (CID 90599459) is 2-cyclohexyl-N-(2-methoxy-2-phenylbutyl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(2-methoxy-2-phenylbutyl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(2-methoxy-2-phenylbutyl)acetamide is CCC(CNC(=O)CC1CCCCC1)(OC)c1ccccc1.
What is the InChIKey of 2-cyclohexyl-N-(2-methoxy-2-phenylbutyl)acetamide?
The InChIKey is KKKMLBSLQWPEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-3-19(22-2,17-12-8-5-9-13-17)15-20-18(21)14-16-10-6-4-7-11-16/h5,8-9,12-13,16H,3-4,6-7,10-11,14-15H2,1-2H3,(H,20,21).
What are the key properties of 2-cyclohexyl-N-(2-methoxy-2-phenylbutyl)acetamide?
2-cyclohexyl-N-(2-methoxy-2-phenylbutyl)acetamide has a molecular weight of 303.45 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(2-methoxy-2-phenylbutyl)acetamide is sourced from PubChem (CID 90599459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).