N-ethyl-5,5-dimethyl-3-oxo-N-phenylhexanamide

C16H23NO2 — CID 58474619

IUPACN-ethyl-5,5-dimethyl-3-oxo-N-phenylhexanamide
SMILESCCN(C(=O)CC(=O)CC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-5-17(13-9-7-6-8-10-13)15(19)11-14(18)12-16(2,3)4/h6-10H,5,11-12H2,1-4H3
InChIKeyVZPXRKMIHJTVAV-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.43
Rot. Bonds5

About N-ethyl-5,5-dimethyl-3-oxo-N-phenylhexanamide

N-ethyl-5,5-dimethyl-3-oxo-N-phenylhexanamide (PubChem CID 58474619) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-ethyl-5,5-dimethyl-3-oxo-N-phenylhexanamide.

Molecular Properties

Compound NameN-ethyl-5,5-dimethyl-3-oxo-N-phenylhexanamide
PubChem CID58474619
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-ethyl-5,5-dimethyl-3-oxo-N-phenylhexanamide
SMILESCCN(C(=O)CC(=O)CC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-5-17(13-9-7-6-8-10-13)15(19)11-14(18)12-16(2,3)4/h6-10H,5,11-12H2,1-4H3
InChIKeyVZPXRKMIHJTVAV-UHFFFAOYSA-N
XLogP3.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
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N-ethyl-2,2-dimethyl-N-phenylpropanamide
CID 4127582
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694
N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide
CID 78806080
3-[[ethyl(phenyl)carbamoyl]amino]-3-methylbutanoic acid
CID 64700830
2-[ethyl-[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62820744
N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
CID 15890379
4-[[ethyl(phenyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300227
N-[4-(diethylamino)phenyl]-N'-ethyl-N'-phenylpropanediamide
CID 108954138
N-ethyl-2-(4-iodoanilino)-N-phenylacetamide
CID 54812345
N-ethyl-2-(2-methylphenyl)-N-phenylacetamide
CID 113098481

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5-dimethyl-3-oxo-N-phenylhexanamide?
The IUPAC name of N-ethyl-5,5-dimethyl-3-oxo-N-phenylhexanamide (CID 58474619) is N-ethyl-5,5-dimethyl-3-oxo-N-phenylhexanamide.
What is the SMILES notation for N-ethyl-5,5-dimethyl-3-oxo-N-phenylhexanamide?
The canonical SMILES for N-ethyl-5,5-dimethyl-3-oxo-N-phenylhexanamide is CCN(C(=O)CC(=O)CC(C)(C)C)c1ccccc1.
What is the InChIKey of N-ethyl-5,5-dimethyl-3-oxo-N-phenylhexanamide?
The InChIKey is VZPXRKMIHJTVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-17(13-9-7-6-8-10-13)15(19)11-14(18)12-16(2,3)4/h6-10H,5,11-12H2,1-4H3.
What are the key properties of N-ethyl-5,5-dimethyl-3-oxo-N-phenylhexanamide?
N-ethyl-5,5-dimethyl-3-oxo-N-phenylhexanamide has a molecular weight of 261.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5-dimethyl-3-oxo-N-phenylhexanamide is sourced from PubChem (CID 58474619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).