N-ethyl-2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]butanamide

C22H28N2O3 — CID 132655269

IUPACN-ethyl-2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]butanamide
SMILESCCNC(=O)C(CC)N(Cc1ccccc1C)C(=O)COc1ccccc1
InChIInChI=1S/C22H28N2O3/c1-4-20(22(26)23-5-2)24(15-18-12-10-9-11-17(18)3)21(25)16-27-19-13-7-6-8-14-19/h6-14,20H,4-5,15-16H2,1-3H3,(H,23,26)
InChIKeyDFXBFYJDXAVOHJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.32
Rot. Bonds9

About N-ethyl-2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]butanamide

N-ethyl-2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]butanamide (PubChem CID 132655269) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-ethyl-2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]butanamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]butanamide
PubChem CID132655269
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-ethyl-2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]butanamide
SMILESCCNC(=O)C(CC)N(Cc1ccccc1C)C(=O)COc1ccccc1
InChIInChI=1S/C22H28N2O3/c1-4-20(22(26)23-5-2)24(15-18-12-10-9-11-17(18)3)21(25)16-27-19-13-7-6-8-14-19/h6-14,20H,4-5,15-16H2,1-3H3,(H,23,26)
InChIKeyDFXBFYJDXAVOHJ-UHFFFAOYSA-N
XLogP3.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-propylbutanamide
CID 132657546
2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-propan-2-ylbutanamide
CID 132657630
N-tert-butyl-2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]butanamide
CID 132704901
2-[benzyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide
CID 132653456
(2R)-2-[[2-(4-methylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100549597
(2S)-2-[[2-(4-methylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100549604
2-[[2-(2,5-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylbutanamide
CID 132660365
N-butyl-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132711761
2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide
CID 132659011
(2R)-2-[[2-(4-methoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 100734159
N-butyl-2-[[2-(4-tert-butylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132717662
N-butyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132709977

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]butanamide?
The IUPAC name of N-ethyl-2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]butanamide (CID 132655269) is N-ethyl-2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]butanamide.
What is the SMILES notation for N-ethyl-2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]butanamide?
The canonical SMILES for N-ethyl-2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]butanamide is CCNC(=O)C(CC)N(Cc1ccccc1C)C(=O)COc1ccccc1.
What is the InChIKey of N-ethyl-2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]butanamide?
The InChIKey is DFXBFYJDXAVOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-20(22(26)23-5-2)24(15-18-12-10-9-11-17(18)3)21(25)16-27-19-13-7-6-8-14-19/h6-14,20H,4-5,15-16H2,1-3H3,(H,23,26).
What are the key properties of N-ethyl-2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]butanamide?
N-ethyl-2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]butanamide has a molecular weight of 368.48 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]butanamide is sourced from PubChem (CID 132655269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).