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

C22H28N2O3 — CID 78846238

IUPAC3-methoxy-N-[2-[(3-methyl-2-phenylpentanoyl)amino]ethyl]benzamide
SMILESCCC(C)C(C(=O)NCCNC(=O)c1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C22H28N2O3/c1-4-16(2)20(17-9-6-5-7-10-17)22(26)24-14-13-23-21(25)18-11-8-12-19(15-18)27-3/h5-12,15-16,20H,4,13-14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyHBUHDTKHYNHWKT-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.37
Rot. Bonds9

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

3-methoxy-N-[2-[(3-methyl-2-phenylpentanoyl)amino]ethyl]benzamide (PubChem CID 78846238) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-methoxy-N-[2-[(3-methyl-2-phenylpentanoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[(3-methyl-2-phenylpentanoyl)amino]ethyl]benzamide
PubChem CID78846238
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-methoxy-N-[2-[(3-methyl-2-phenylpentanoyl)amino]ethyl]benzamide
SMILESCCC(C)C(C(=O)NCCNC(=O)c1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C22H28N2O3/c1-4-16(2)20(17-9-6-5-7-10-17)22(26)24-14-13-23-21(25)18-11-8-12-19(15-18)27-3/h5-12,15-16,20H,4,13-14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyHBUHDTKHYNHWKT-UHFFFAOYSA-N
XLogP3.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride
CID 119703511
N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride
CID 119703531
N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide
CID 90499517
N-[2-(2-methoxyethylamino)ethyl]-3-methyl-2-phenylpentanamide
CID 82990815
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
3-methoxy-N-[2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]ethyl]benzamide
CID 111342317
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3-methyl-N-(2-phenoxyethyl)-2-phenylpentanamide
CID 112794606
3-methoxy-N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
CID 42703712
N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-3-methoxybenzamide
CID 108539201
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[(3-methyl-2-phenylpentanoyl)amino]ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[(3-methyl-2-phenylpentanoyl)amino]ethyl]benzamide (CID 78846238) is 3-methoxy-N-[2-[(3-methyl-2-phenylpentanoyl)amino]ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[(3-methyl-2-phenylpentanoyl)amino]ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[(3-methyl-2-phenylpentanoyl)amino]ethyl]benzamide is CCC(C)C(C(=O)NCCNC(=O)c1cccc(OC)c1)c1ccccc1.
What is the InChIKey of 3-methoxy-N-[2-[(3-methyl-2-phenylpentanoyl)amino]ethyl]benzamide?
The InChIKey is HBUHDTKHYNHWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-16(2)20(17-9-6-5-7-10-17)22(26)24-14-13-23-21(25)18-11-8-12-19(15-18)27-3/h5-12,15-16,20H,4,13-14H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 3-methoxy-N-[2-[(3-methyl-2-phenylpentanoyl)amino]ethyl]benzamide?
3-methoxy-N-[2-[(3-methyl-2-phenylpentanoyl)amino]ethyl]benzamide has a molecular weight of 368.48 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[(3-methyl-2-phenylpentanoyl)amino]ethyl]benzamide is sourced from PubChem (CID 78846238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).