2-[benzyl-(2-phenoxyacetyl)amino]-N-butan-2-ylpropanamide

C22H28N2O3 — CID 132701864

IUPAC2-[benzyl-(2-phenoxyacetyl)amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)COc1ccccc1
InChIInChI=1S/C22H28N2O3/c1-4-17(2)23-22(26)18(3)24(15-19-11-7-5-8-12-19)21(25)16-27-20-13-9-6-10-14-20/h5-14,17-18H,4,15-16H2,1-3H3,(H,23,26)
InChIKeyJXEBIHPKSALLQV-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.40
Rot. Bonds9

About 2-[benzyl-(2-phenoxyacetyl)amino]-N-butan-2-ylpropanamide

2-[benzyl-(2-phenoxyacetyl)amino]-N-butan-2-ylpropanamide (PubChem CID 132701864) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[benzyl-(2-phenoxyacetyl)amino]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-[benzyl-(2-phenoxyacetyl)amino]-N-butan-2-ylpropanamide
PubChem CID132701864
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-[benzyl-(2-phenoxyacetyl)amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)COc1ccccc1
InChIInChI=1S/C22H28N2O3/c1-4-17(2)23-22(26)18(3)24(15-19-11-7-5-8-12-19)21(25)16-27-20-13-9-6-10-14-20/h5-14,17-18H,4,15-16H2,1-3H3,(H,23,26)
InChIKeyJXEBIHPKSALLQV-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[benzyl-[2-(4-chlorophenoxy)acetyl]amino]-N-[(2S)-butan-2-yl]propanamide
CID 100515665
2-[(4-bromophenyl)methyl-(2-phenoxyacetyl)amino]-N-butan-2-ylpropanamide
CID 133258461
N-butan-2-yl-2-[(3-chlorophenyl)methyl-(2-phenoxyacetyl)amino]propanamide
CID 133225384
(2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-[(2R)-butan-2-yl]butanamide
CID 100640479
(2S)-N-[(2S)-butan-2-yl]-2-[(2-phenoxyacetyl)-(2-phenylethyl)amino]propanamide
CID 100625010
(2R)-2-[benzyl-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-[(2S)-butan-2-yl]propanamide
CID 100521089
(2S)-2-[benzyl-[2-(4-bromo-3,5-dimethylphenoxy)acetyl]amino]-N-[(2S)-butan-2-yl]propanamide
CID 100520783
(2S)-N-[(2S)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-(2-phenoxyacetyl)amino]propanamide
CID 100583958
N-butan-2-yl-2-[(3,4-dichlorophenyl)methyl-(2-phenoxyacetyl)amino]propanamide
CID 132713346
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 100549077
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 100549094
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(4-fluorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 100575098

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-phenoxyacetyl)amino]-N-butan-2-ylpropanamide?
The IUPAC name of 2-[benzyl-(2-phenoxyacetyl)amino]-N-butan-2-ylpropanamide (CID 132701864) is 2-[benzyl-(2-phenoxyacetyl)amino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-[benzyl-(2-phenoxyacetyl)amino]-N-butan-2-ylpropanamide?
The canonical SMILES for 2-[benzyl-(2-phenoxyacetyl)amino]-N-butan-2-ylpropanamide is CCC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)COc1ccccc1.
What is the InChIKey of 2-[benzyl-(2-phenoxyacetyl)amino]-N-butan-2-ylpropanamide?
The InChIKey is JXEBIHPKSALLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-17(2)23-22(26)18(3)24(15-19-11-7-5-8-12-19)21(25)16-27-20-13-9-6-10-14-20/h5-14,17-18H,4,15-16H2,1-3H3,(H,23,26).
What are the key properties of 2-[benzyl-(2-phenoxyacetyl)amino]-N-butan-2-ylpropanamide?
2-[benzyl-(2-phenoxyacetyl)amino]-N-butan-2-ylpropanamide has a molecular weight of 368.48 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-phenoxyacetyl)amino]-N-butan-2-ylpropanamide is sourced from PubChem (CID 132701864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).