N'-[(4-chlorophenyl)methyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide

C19H22ClN3O2 — CID 16891470

IUPACN'-[(4-chlorophenyl)methyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide
SMILESCN(C)c1ccc(CCNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O2/c1-23(2)17-9-5-14(6-10-17)11-12-21-18(24)19(25)22-13-15-3-7-16(20)8-4-15/h3-10H,11-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyAHDHVAPAYWYUEI-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.38
Rot. Bonds6

About N'-[(4-chlorophenyl)methyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide

N'-[(4-chlorophenyl)methyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide (PubChem CID 16891470) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide
PubChem CID16891470
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN'-[(4-chlorophenyl)methyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide
SMILESCN(C)c1ccc(CCNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O2/c1-23(2)17-9-5-14(6-10-17)11-12-21-18(24)19(25)22-13-15-3-7-16(20)8-4-15/h3-10H,11-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyAHDHVAPAYWYUEI-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide?
The IUPAC name of N'-[(4-chlorophenyl)methyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide (CID 16891470) is N'-[(4-chlorophenyl)methyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide is CN(C)c1ccc(CCNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide?
The InChIKey is AHDHVAPAYWYUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-23(2)17-9-5-14(6-10-17)11-12-21-18(24)19(25)22-13-15-3-7-16(20)8-4-15/h3-10H,11-13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-[(4-chlorophenyl)methyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide?
N'-[(4-chlorophenyl)methyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide has a molecular weight of 359.86 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide is sourced from PubChem (CID 16891470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).