N-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide

C19H23ClN2O — CID 109002927

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide
SMILESO=C(CNCCCc1ccccc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O/c20-18-10-8-17(9-11-18)12-14-22-19(23)15-21-13-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,21H,4,7,12-15H2,(H,22,23)
InChIKeyNUGOJWHUMPHJKH-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.22
Rot. Bonds9

About N-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide

N-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide (PubChem CID 109002927) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide
PubChem CID109002927
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide
SMILESO=C(CNCCCc1ccccc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O/c20-18-10-8-17(9-11-18)12-14-22-19(23)15-21-13-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,21H,4,7,12-15H2,(H,22,23)
InChIKeyNUGOJWHUMPHJKH-UHFFFAOYSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-chlorophenyl)ethylamino]acetamide
CID 109002830
2-(2-hydroxyethylamino)-N-(3-phenylpropyl)acetamide
CID 163571162
N-(2-phenylethyl)-2-(propylamino)acetamide
CID 54818782
2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide
CID 109002824
N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide
CID 108947987
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 108993941
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108965035
N-[2-(4-chlorophenyl)ethyl]-2-formamidoacetamide
CID 3244484
N-[2-(4-chlorophenyl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000854
2-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000751
N-[2-(4-chlorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 71627764
N-[2-(4-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 61260038

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide (CID 109002927) is N-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide is O=C(CNCCCc1ccccc1)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide?
The InChIKey is NUGOJWHUMPHJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c20-18-10-8-17(9-11-18)12-14-22-19(23)15-21-13-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,21H,4,7,12-15H2,(H,22,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide has a molecular weight of 330.86 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide is sourced from PubChem (CID 109002927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).