2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-pentyl-3-phenylpropanamide

C30H36N2O4 — CID 133236729

IUPAC2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-pentyl-3-phenylpropanamide
SMILESCCCCCNC(=O)C(Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1
InChIInChI=1S/C30H36N2O4/c1-3-4-11-20-31-30(34)28(21-24-12-7-5-8-13-24)32(22-25-16-18-26(35-2)19-17-25)29(33)23-36-27-14-9-6-10-15-27/h5-10,12-19,28H,3-4,11,20-23H2,1-2H3,(H,31,34)
InChIKeyWZEYLTNRNMKFBR-UHFFFAOYSA-N
MW488.63 g/mol
LogP5.02
Rot. Bonds14

About 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-pentyl-3-phenylpropanamide

2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-pentyl-3-phenylpropanamide (PubChem CID 133236729) has the molecular formula C30H36N2O4 and a molecular weight of 488.63 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-pentyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-pentyl-3-phenylpropanamide
PubChem CID133236729
Molecular FormulaC30H36N2O4
Molecular Weight488.63 g/mol
Exact Mass488.27
IUPAC Name2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-pentyl-3-phenylpropanamide
SMILESCCCCCNC(=O)C(Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1
InChIInChI=1S/C30H36N2O4/c1-3-4-11-20-31-30(34)28(21-24-12-7-5-8-13-24)32(22-25-16-18-26(35-2)19-17-25)29(33)23-36-27-14-9-6-10-15-27/h5-10,12-19,28H,3-4,11,20-23H2,1-2H3,(H,31,34)
InChIKeyWZEYLTNRNMKFBR-UHFFFAOYSA-N
XLogP5.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100579080
2-[(4-methoxyphenyl)methyl-propanoylamino]-N-pentyl-3-phenylpropanamide
CID 133240945
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 133236716
2-[benzyl-[2-(4-ethylphenoxy)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 133152644
(2R)-N-butyl-2-[(3-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide
CID 100706391
2-[[2-(4-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132615977
(2S)-N-butyl-2-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide
CID 100598495
N-butyl-2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide
CID 133258700
N-benzyl-N-[(2R)-1-(butylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 100583526
N-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-3-phenylpropanamide
CID 133232320
(2S)-2-[(4-bromophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100678122
(2S)-2-[(4-bromophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100678338

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-pentyl-3-phenylpropanamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-pentyl-3-phenylpropanamide (CID 133236729) is 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-pentyl-3-phenylpropanamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-pentyl-3-phenylpropanamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-pentyl-3-phenylpropanamide is CCCCCNC(=O)C(Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-pentyl-3-phenylpropanamide?
The InChIKey is WZEYLTNRNMKFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O4/c1-3-4-11-20-31-30(34)28(21-24-12-7-5-8-13-24)32(22-25-16-18-26(35-2)19-17-25)29(33)23-36-27-14-9-6-10-15-27/h5-10,12-19,28H,3-4,11,20-23H2,1-2H3,(H,31,34).
What are the key properties of 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-pentyl-3-phenylpropanamide?
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-pentyl-3-phenylpropanamide has a molecular weight of 488.63 g/mol, XLogP of 5.02, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-pentyl-3-phenylpropanamide is sourced from PubChem (CID 133236729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).