N'-(2-chlorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide

C19H22ClN3O2 — CID 16892038

IUPACN'-(2-chlorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
SMILESCN(C)c1ccc(CCCNC(=O)C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C19H22ClN3O2/c1-23(2)15-11-9-14(10-12-15)6-5-13-21-18(24)19(25)22-17-8-4-3-7-16(17)20/h3-4,7-12H,5-6,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyPZERJWWWCSCPCC-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.09
Rot. Bonds6

About N'-(2-chlorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide

N'-(2-chlorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide (PubChem CID 16892038) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
PubChem CID16892038
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN'-(2-chlorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
SMILESCN(C)c1ccc(CCCNC(=O)C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C19H22ClN3O2/c1-23(2)15-11-9-14(10-12-15)6-5-13-21-18(24)19(25)22-17-8-4-3-7-16(17)20/h3-4,7-12H,5-6,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyPZERJWWWCSCPCC-UHFFFAOYSA-N
XLogP3.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide?
The IUPAC name of N'-(2-chlorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide (CID 16892038) is N'-(2-chlorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide is CN(C)c1ccc(CCCNC(=O)C(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N'-(2-chlorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide?
The InChIKey is PZERJWWWCSCPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-23(2)15-11-9-14(10-12-15)6-5-13-21-18(24)19(25)22-17-8-4-3-7-16(17)20/h3-4,7-12H,5-6,13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-(2-chlorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide?
N'-(2-chlorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide has a molecular weight of 359.86 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide is sourced from PubChem (CID 16892038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).