2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-propylbutanamide

C23H30N2O3 — CID 132657546

IUPAC2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-propylbutanamide
SMILESCCCNC(=O)C(CC)N(Cc1ccccc1C)C(=O)COc1ccccc1
InChIInChI=1S/C23H30N2O3/c1-4-15-24-23(27)21(5-2)25(16-19-12-10-9-11-18(19)3)22(26)17-28-20-13-7-6-8-14-20/h6-14,21H,4-5,15-17H2,1-3H3,(H,24,27)
InChIKeyUNYZGVJIYQYYEX-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.71
Rot. Bonds10

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

2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-propylbutanamide (PubChem CID 132657546) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-propylbutanamide.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-propylbutanamide
PubChem CID132657546
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-propylbutanamide
SMILESCCCNC(=O)C(CC)N(Cc1ccccc1C)C(=O)COc1ccccc1
InChIInChI=1S/C23H30N2O3/c1-4-15-24-23(27)21(5-2)25(16-19-12-10-9-11-18(19)3)22(26)17-28-20-13-7-6-8-14-20/h6-14,21H,4-5,15-17H2,1-3H3,(H,24,27)
InChIKeyUNYZGVJIYQYYEX-UHFFFAOYSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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
N-ethyl-2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]butanamide
CID 132655269
(2R)-2-[[2-(2-methylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100543275
(2R)-2-[[2-(4-bromo-3,5-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100548047
(2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-propylbutanamide
CID 100536498
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
(2S)-2-[[2-(4-bromo-3-methylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100548036
(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100549725
N-butyl-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132711761
N-butyl-2-[[2-(4-tert-butylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132717662

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-propylbutanamide?
The IUPAC name of 2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-propylbutanamide (CID 132657546) is 2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-propylbutanamide.
What is the SMILES notation for 2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-propylbutanamide?
The canonical SMILES for 2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-propylbutanamide is CCCNC(=O)C(CC)N(Cc1ccccc1C)C(=O)COc1ccccc1.
What is the InChIKey of 2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-propylbutanamide?
The InChIKey is UNYZGVJIYQYYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-4-15-24-23(27)21(5-2)25(16-19-12-10-9-11-18(19)3)22(26)17-28-20-13-7-6-8-14-20/h6-14,21H,4-5,15-17H2,1-3H3,(H,24,27).
What are the key properties of 2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-propylbutanamide?
2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-propylbutanamide has a molecular weight of 382.50 g/mol, XLogP of 3.71, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-propylbutanamide is sourced from PubChem (CID 132657546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).