N-[2-[(3-methyl-3-phenylbutanoyl)amino]ethyl]benzamide

C20H24N2O2 — CID 110309389

IUPACN-[2-[(3-methyl-3-phenylbutanoyl)amino]ethyl]benzamide
SMILESCC(C)(CC(=O)NCCNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-20(2,17-11-7-4-8-12-17)15-18(23)21-13-14-22-19(24)16-9-5-3-6-10-16/h3-12H,13-15H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCIOVQRZDCBTQFO-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.90
Rot. Bonds7

About N-[2-[(3-methyl-3-phenylbutanoyl)amino]ethyl]benzamide

N-[2-[(3-methyl-3-phenylbutanoyl)amino]ethyl]benzamide (PubChem CID 110309389) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[2-[(3-methyl-3-phenylbutanoyl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(3-methyl-3-phenylbutanoyl)amino]ethyl]benzamide
PubChem CID110309389
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[2-[(3-methyl-3-phenylbutanoyl)amino]ethyl]benzamide
SMILESCC(C)(CC(=O)NCCNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-20(2,17-11-7-4-8-12-17)15-18(23)21-13-14-22-19(24)16-9-5-3-6-10-16/h3-12H,13-15H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCIOVQRZDCBTQFO-UHFFFAOYSA-N
XLogP2.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidobutyl)-3-methyl-3-phenylbutanamide
CID 110356790
N-(3-acetamidopropyl)-3-methyl-3-phenylbutanamide
CID 110309467
N-[3-(dimethylamino)propyl]-3-methyl-3-phenylbutanamide
CID 110295213
N-[3-[(3-methyl-3-phenylbutanoyl)amino]propyl]thiophene-2-carboxamide
CID 60610285
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
N-[2-[(2-methyl-2,3-diphenylpropanoyl)amino]ethyl]benzamide
CID 110309440
4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 108541991
2-methyl-2-[(3-methyl-3-phenylbutanoyl)amino]propanoic acid
CID 119187916
3-[(3-methyl-3-phenylbutanoyl)amino]-2-phenylpropanoic acid
CID 119255037
N-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide
CID 110307449
N-[2-(methylcarbamoylamino)ethyl]benzamide
CID 47152136
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-3-phenylbutanoyl)amino]ethyl]benzamide?
The IUPAC name of N-[2-[(3-methyl-3-phenylbutanoyl)amino]ethyl]benzamide (CID 110309389) is N-[2-[(3-methyl-3-phenylbutanoyl)amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[(3-methyl-3-phenylbutanoyl)amino]ethyl]benzamide?
The canonical SMILES for N-[2-[(3-methyl-3-phenylbutanoyl)amino]ethyl]benzamide is CC(C)(CC(=O)NCCNC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[(3-methyl-3-phenylbutanoyl)amino]ethyl]benzamide?
The InChIKey is CIOVQRZDCBTQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-20(2,17-11-7-4-8-12-17)15-18(23)21-13-14-22-19(24)16-9-5-3-6-10-16/h3-12H,13-15H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[(3-methyl-3-phenylbutanoyl)amino]ethyl]benzamide?
N-[2-[(3-methyl-3-phenylbutanoyl)amino]ethyl]benzamide has a molecular weight of 324.42 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-3-phenylbutanoyl)amino]ethyl]benzamide is sourced from PubChem (CID 110309389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).