N-[(4-ethylcyclohexyl)methyl]-2-oxo-2-phenylacetamide

C17H23NO2 — CID 142230565

IUPACN-[(4-ethylcyclohexyl)methyl]-2-oxo-2-phenylacetamide
SMILESCCC1CCC(CNC(=O)C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H23NO2/c1-2-13-8-10-14(11-9-13)12-18-17(20)16(19)15-6-4-3-5-7-15/h3-7,13-14H,2,8-12H2,1H3,(H,18,20)
InChIKeyZUOURPFVHBRTSI-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.20
Rot. Bonds5

About N-[(4-ethylcyclohexyl)methyl]-2-oxo-2-phenylacetamide

N-[(4-ethylcyclohexyl)methyl]-2-oxo-2-phenylacetamide (PubChem CID 142230565) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-2-oxo-2-phenylacetamide.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-2-oxo-2-phenylacetamide
PubChem CID142230565
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-2-oxo-2-phenylacetamide
SMILESCCC1CCC(CNC(=O)C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H23NO2/c1-2-13-8-10-14(11-9-13)12-18-17(20)16(19)15-6-4-3-5-7-15/h3-7,13-14H,2,8-12H2,1H3,(H,18,20)
InChIKeyZUOURPFVHBRTSI-UHFFFAOYSA-N
XLogP3.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-(cyclopropylmethylamino)-3-phenylpent-3-en-2-one
CID 102273687
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CID 99984757
3-amino-N-[(4-ethylcyclohexyl)methyl]-2-phenylpropanamide
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1-[(4-ethylcyclohexyl)methyl]-3-phenylthiourea
CID 115594241
N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylbenzamide
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CID 106134088
N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide
CID 25469630
N-[(4-ethylcyclohexyl)methyl]-2-phenylethanamine
CID 55192739
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124263
5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide
CID 63525997
N-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide
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CID 51648995

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2-oxo-2-phenylacetamide?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2-oxo-2-phenylacetamide (CID 142230565) is N-[(4-ethylcyclohexyl)methyl]-2-oxo-2-phenylacetamide.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-2-oxo-2-phenylacetamide?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-2-oxo-2-phenylacetamide is CCC1CCC(CNC(=O)C(=O)c2ccccc2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-2-oxo-2-phenylacetamide?
The InChIKey is ZUOURPFVHBRTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-13-8-10-14(11-9-13)12-18-17(20)16(19)15-6-4-3-5-7-15/h3-7,13-14H,2,8-12H2,1H3,(H,18,20).
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-2-oxo-2-phenylacetamide?
N-[(4-ethylcyclohexyl)methyl]-2-oxo-2-phenylacetamide has a molecular weight of 273.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-2-oxo-2-phenylacetamide is sourced from PubChem (CID 142230565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).