2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-pentyl-2-phenylacetamide

C28H31ClN2O3 — CID 133236921

IUPAC2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-pentyl-2-phenylacetamide
SMILESCCCCCNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl
InChIInChI=1S/C28H31ClN2O3/c1-2-3-12-19-30-28(33)27(23-15-8-5-9-16-23)31(20-22-13-6-4-7-14-22)26(32)21-34-25-18-11-10-17-24(25)29/h4-11,13-18,27H,2-3,12,19-21H2,1H3,(H,30,33)
InChIKeyOVPKESZNAOAHAP-UHFFFAOYSA-N
MW479.02 g/mol
LogP5.80
Rot. Bonds12

About 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-pentyl-2-phenylacetamide

2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-pentyl-2-phenylacetamide (PubChem CID 133236921) has the molecular formula C28H31ClN2O3 and a molecular weight of 479.02 g/mol. Its IUPAC name is 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-pentyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-pentyl-2-phenylacetamide
PubChem CID133236921
Molecular FormulaC28H31ClN2O3
Molecular Weight479.02 g/mol
Exact Mass478.20
IUPAC Name2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-pentyl-2-phenylacetamide
SMILESCCCCCNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl
InChIInChI=1S/C28H31ClN2O3/c1-2-3-12-19-30-28(33)27(23-15-8-5-9-16-23)31(20-22-13-6-4-7-14-22)26(32)21-34-25-18-11-10-17-24(25)29/h4-11,13-18,27H,2-3,12,19-21H2,1H3,(H,30,33)
InChIKeyOVPKESZNAOAHAP-UHFFFAOYSA-N
XLogP5.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.02
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl-(2-phenoxyacetyl)amino]-N-pentyl-2-phenylacetamide
CID 133237249
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 133236903
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-2-phenyl-N-prop-2-enylacetamide
CID 133236895
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-2-phenylacetamide
CID 133238520
N-butyl-2-[[2-(2-chlorophenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-3-phenylpropanamide
CID 133204390
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyethyl)-2-phenylacetamide
CID 133238532
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]-2-phenylacetamide
CID 133236897
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)-2-phenylacetamide
CID 133238530
(2R)-N-butyl-2-[[2-(2-chlorophenoxy)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide
CID 100695089
2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide
CID 133237048
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-phenyl-N-prop-2-enylacetamide
CID 133238462
N-butyl-2-[[2-(2-chlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133153128

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-pentyl-2-phenylacetamide?
The IUPAC name of 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-pentyl-2-phenylacetamide (CID 133236921) is 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-pentyl-2-phenylacetamide.
What is the SMILES notation for 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-pentyl-2-phenylacetamide?
The canonical SMILES for 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-pentyl-2-phenylacetamide is CCCCCNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl.
What is the InChIKey of 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-pentyl-2-phenylacetamide?
The InChIKey is OVPKESZNAOAHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN2O3/c1-2-3-12-19-30-28(33)27(23-15-8-5-9-16-23)31(20-22-13-6-4-7-14-22)26(32)21-34-25-18-11-10-17-24(25)29/h4-11,13-18,27H,2-3,12,19-21H2,1H3,(H,30,33).
What are the key properties of 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-pentyl-2-phenylacetamide?
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-pentyl-2-phenylacetamide has a molecular weight of 479.02 g/mol, XLogP of 5.80, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-pentyl-2-phenylacetamide is sourced from PubChem (CID 133236921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).