3-methyl-2-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)pentanamide

C22H28N2O3 — CID 42703989

IUPAC3-methyl-2-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)pentanamide
SMILESCCC(C)C(NC(=O)COc1ccccc1)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C22H28N2O3/c1-4-16(2)21(22(26)23-17(3)18-11-7-5-8-12-18)24-20(25)15-27-19-13-9-6-10-14-19/h5-14,16-17,21H,4,15H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyVGKVZYZOWFCDEI-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.47
Rot. Bonds9

About 3-methyl-2-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)pentanamide

3-methyl-2-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)pentanamide (PubChem CID 42703989) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-methyl-2-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)pentanamide.

Molecular Properties

Compound Name3-methyl-2-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)pentanamide
PubChem CID42703989
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-methyl-2-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)pentanamide
SMILESCCC(C)C(NC(=O)COc1ccccc1)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C22H28N2O3/c1-4-16(2)21(22(26)23-17(3)18-11-7-5-8-12-18)24-20(25)15-27-19-13-9-6-10-14-19/h5-14,16-17,21H,4,15H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyVGKVZYZOWFCDEI-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-dimethylbutanoylamino)-3-methyl-N-(1-phenylethyl)pentanamide
CID 42703986
N-[1-(4-ethylphenyl)ethyl]-2-phenoxyacetamide
CID 17326821
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-phenoxyacetamide
CID 10891430
2-phenoxy-N'-(1-phenylethyl)acetohydrazide
CID 23275370
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
2-(3-methoxyphenoxy)-N-(1-phenylethyl)acetamide
CID 19204047
2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 2711808
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-phenoxyacetamide
CID 42902003
2-(3-iodophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7694493

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)pentanamide?
The IUPAC name of 3-methyl-2-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)pentanamide (CID 42703989) is 3-methyl-2-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)pentanamide.
What is the SMILES notation for 3-methyl-2-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)pentanamide?
The canonical SMILES for 3-methyl-2-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)pentanamide is CCC(C)C(NC(=O)COc1ccccc1)C(=O)NC(C)c1ccccc1.
What is the InChIKey of 3-methyl-2-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)pentanamide?
The InChIKey is VGKVZYZOWFCDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-16(2)21(22(26)23-17(3)18-11-7-5-8-12-18)24-20(25)15-27-19-13-9-6-10-14-19/h5-14,16-17,21H,4,15H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 3-methyl-2-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)pentanamide?
3-methyl-2-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)pentanamide has a molecular weight of 368.48 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)pentanamide is sourced from PubChem (CID 42703989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).