N-[(4-chlorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide

C30H35ClN2O3 — CID 133237730

IUPACN-[(4-chlorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide
SMILESCC(C)OCCCNC(=O)C(c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C30H35ClN2O3/c1-23(2)36-21-9-20-32-30(35)29(26-12-7-4-8-13-26)33(22-25-14-17-27(31)18-15-25)28(34)19-16-24-10-5-3-6-11-24/h3-8,10-15,17-18,23,29H,9,16,19-22H2,1-2H3,(H,32,35)
InChIKeyHHSZSOARQLJBIP-UHFFFAOYSA-N
MW507.07 g/mol
LogP5.97
Rot. Bonds13

About N-[(4-chlorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide

N-[(4-chlorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide (PubChem CID 133237730) has the molecular formula C30H35ClN2O3 and a molecular weight of 507.07 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide
PubChem CID133237730
Molecular FormulaC30H35ClN2O3
Molecular Weight507.07 g/mol
Exact Mass506.23
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide
SMILESCC(C)OCCCNC(=O)C(c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C30H35ClN2O3/c1-23(2)36-21-9-20-32-30(35)29(26-12-7-4-8-13-26)33(22-25-14-17-27(31)18-15-25)28(34)19-16-24-10-5-3-6-11-24/h3-8,10-15,17-18,23,29H,9,16,19-22H2,1-2H3,(H,32,35)
InChIKeyHHSZSOARQLJBIP-UHFFFAOYSA-N
XLogP5.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.07
LogP ≤ 55.97
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

N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide
CID 133238282
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133237698
2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133237549
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(3-propan-2-yloxypropyl)propanamide
CID 133149478
2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133238250
N-[(4-chlorophenyl)methyl]-N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 133237421
N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]propanamide
CID 133237376
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133238348
N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide
CID 133237738
N-[(4-fluorophenyl)methyl]-N-[2-(3-methylbutylamino)-2-oxo-1-phenylethyl]-3-phenylpropanamide
CID 133238286
2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 133214649
N-[(4-chlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]propanamide
CID 133237587

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide (CID 133237730) is N-[(4-chlorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide is CC(C)OCCCNC(=O)C(c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide?
The InChIKey is HHSZSOARQLJBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN2O3/c1-23(2)36-21-9-20-32-30(35)29(26-12-7-4-8-13-26)33(22-25-14-17-27(31)18-15-25)28(34)19-16-24-10-5-3-6-11-24/h3-8,10-15,17-18,23,29H,9,16,19-22H2,1-2H3,(H,32,35).
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide?
N-[(4-chlorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide has a molecular weight of 507.07 g/mol, XLogP of 5.97, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 133237730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).