N-(cycloheptylmethyl)-2-phenylacetamide

C16H23NO — CID 54313529

IUPACN-(cycloheptylmethyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1CCCCCC1
InChIInChI=1S/C16H23NO/c18-16(12-14-8-6-3-7-9-14)17-13-15-10-4-1-2-5-11-15/h3,6-9,15H,1-2,4-5,10-13H2,(H,17,18)
InChIKeyHEMKXYCNUCVUHY-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.32
Rot. Bonds4

About N-(cycloheptylmethyl)-2-phenylacetamide

N-(cycloheptylmethyl)-2-phenylacetamide (PubChem CID 54313529) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(cycloheptylmethyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(cycloheptylmethyl)-2-phenylacetamide
PubChem CID54313529
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(cycloheptylmethyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1CCCCCC1
InChIInChI=1S/C16H23NO/c18-16(12-14-8-6-3-7-9-14)17-13-15-10-4-1-2-5-11-15/h3,6-9,15H,1-2,4-5,10-13H2,(H,17,18)
InChIKeyHEMKXYCNUCVUHY-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate
CID 55319435
N-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide
CID 114147876
N-[(4-bromocyclohexyl)methyl]-2-phenylacetamide
CID 106134234
N-(cyclohexylmethyl)-2-(4-fluorophenyl)acetamide
CID 83278373
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
2-(4-aminophenyl)-N-(cyclopentylmethyl)acetamide
CID 43370694
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
N-(cyclohexylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 43071662
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
N-(cyclobutylmethyl)-2-(4-fluorophenyl)acetamide
CID 94168873
N-[(2-bromocyclohexyl)methyl]-2-phenylacetamide
CID 113275097
1,1-dibenzyl-3-(cyclohexylmethyl)urea
CID 108902903

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)-2-phenylacetamide?
The IUPAC name of N-(cycloheptylmethyl)-2-phenylacetamide (CID 54313529) is N-(cycloheptylmethyl)-2-phenylacetamide.
What is the SMILES notation for N-(cycloheptylmethyl)-2-phenylacetamide?
The canonical SMILES for N-(cycloheptylmethyl)-2-phenylacetamide is O=C(Cc1ccccc1)NCC1CCCCCC1.
What is the InChIKey of N-(cycloheptylmethyl)-2-phenylacetamide?
The InChIKey is HEMKXYCNUCVUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c18-16(12-14-8-6-3-7-9-14)17-13-15-10-4-1-2-5-11-15/h3,6-9,15H,1-2,4-5,10-13H2,(H,17,18).
What are the key properties of N-(cycloheptylmethyl)-2-phenylacetamide?
N-(cycloheptylmethyl)-2-phenylacetamide has a molecular weight of 245.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)-2-phenylacetamide is sourced from PubChem (CID 54313529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).