N-cycloheptyl-2-(2-methoxyphenyl)-2-oxoacetamide

C16H21NO3 — CID 94283969

IUPACN-cycloheptyl-2-(2-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccccc1C(=O)C(=O)NC1CCCCCC1
InChIInChI=1S/C16H21NO3/c1-20-14-11-7-6-10-13(14)15(18)16(19)17-12-8-4-2-3-5-9-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,17,19)
InChIKeyOTJHFPFFJHNSJB-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.72
Rot. Bonds4

About N-cycloheptyl-2-(2-methoxyphenyl)-2-oxoacetamide

N-cycloheptyl-2-(2-methoxyphenyl)-2-oxoacetamide (PubChem CID 94283969) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-cycloheptyl-2-(2-methoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(2-methoxyphenyl)-2-oxoacetamide
PubChem CID94283969
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-cycloheptyl-2-(2-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccccc1C(=O)C(=O)NC1CCCCCC1
InChIInChI=1S/C16H21NO3/c1-20-14-11-7-6-10-13(14)15(18)16(19)17-12-8-4-2-3-5-9-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,17,19)
InChIKeyOTJHFPFFJHNSJB-UHFFFAOYSA-N
XLogP2.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
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CID 127232346
2-(cycloheptylamino)-1-(2-methoxyphenyl)propan-1-one
CID 82100983
N-(4-bromocyclohexyl)-2-methoxybenzamide
CID 113274302
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 9208969
N-cyclohexyl-2-(4-methoxyphenyl)-2-oxoacetamide
CID 11414317
cyclohexyl 2-methoxybenzenecarboperoxoate
CID 173268005
2-cyclohexyl-2-hydroxy-1-(2-methoxyphenyl)ethanone
CID 103457383
N-cyclohexyl-2-oxo-2-phenylacetamide
CID 11436176
N-cyclohexyl-2-(2-methoxyphenoxy)propanamide
CID 5003306
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CID 81487134

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(2-methoxyphenyl)-2-oxoacetamide?
The IUPAC name of N-cycloheptyl-2-(2-methoxyphenyl)-2-oxoacetamide (CID 94283969) is N-cycloheptyl-2-(2-methoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for N-cycloheptyl-2-(2-methoxyphenyl)-2-oxoacetamide?
The canonical SMILES for N-cycloheptyl-2-(2-methoxyphenyl)-2-oxoacetamide is COc1ccccc1C(=O)C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(2-methoxyphenyl)-2-oxoacetamide?
The InChIKey is OTJHFPFFJHNSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-20-14-11-7-6-10-13(14)15(18)16(19)17-12-8-4-2-3-5-9-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,17,19).
What are the key properties of N-cycloheptyl-2-(2-methoxyphenyl)-2-oxoacetamide?
N-cycloheptyl-2-(2-methoxyphenyl)-2-oxoacetamide has a molecular weight of 275.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(2-methoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 94283969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).