N-[(4-chlorophenyl)methyl]-2-[3,6-dimethyl-2-(methylamino)phenyl]-2-iminoacetamide;ethane

C20H26ClN3O — CID 156793601

IUPACN-[(4-chlorophenyl)methyl]-2-[3,6-dimethyl-2-(methylamino)phenyl]-2-iminoacetamide;ethane
SMILESCC.[H]/N=C(\C(=O)NCc1ccc(Cl)cc1)c1c(C)ccc(C)c1NC
InChIInChI=1S/C18H20ClN3O.C2H6/c1-11-4-5-12(2)17(21-3)15(11)16(20)18(23)22-10-13-6-8-14(19)9-7-13;1-2/h4-9,20-21H,10H2,1-3H3,(H,22,23);1-2H3/b20-16-;
InChIKeyYADVPAPIHQZUMV-LRZQPWDCSA-N
MW359.90 g/mol
LogP4.71
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-[3,6-dimethyl-2-(methylamino)phenyl]-2-iminoacetamide;ethane

N-[(4-chlorophenyl)methyl]-2-[3,6-dimethyl-2-(methylamino)phenyl]-2-iminoacetamide;ethane (PubChem CID 156793601) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[3,6-dimethyl-2-(methylamino)phenyl]-2-iminoacetamide;ethane.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[3,6-dimethyl-2-(methylamino)phenyl]-2-iminoacetamide;ethane
PubChem CID156793601
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[3,6-dimethyl-2-(methylamino)phenyl]-2-iminoacetamide;ethane
SMILESCC.[H]/N=C(\C(=O)NCc1ccc(Cl)cc1)c1c(C)ccc(C)c1NC
InChIInChI=1S/C18H20ClN3O.C2H6/c1-11-4-5-12(2)17(21-3)15(11)16(20)18(23)22-10-13-6-8-14(19)9-7-13;1-2/h4-9,20-21H,10H2,1-3H3,(H,22,23);1-2H3/b20-16-;
InChIKeyYADVPAPIHQZUMV-LRZQPWDCSA-N
XLogP4.71
TPSA64.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-N'-(2,6-dimethylphenyl)propanediamide
CID 108946748
N-[(4-chlorophenyl)methyl]-3,5-difluoro-4-(methylamino)benzamide
CID 63183628
N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715469
1-N'-(5-chloro-2-methylphenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976105
N'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide
CID 44995823
N-[(4-chlorophenyl)methyl]-4-hydroxy-2-methylbenzamide
CID 103863411
N-[(4-chlorophenyl)methyl]-2-[6-chloro-4-(tritylamino)-3-pyridinyl]-2-iminoacetamide
CID 156793634
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
N'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide
CID 21369940
N-[(4-chlorophenyl)methyl]-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108946756
N'-(5-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
CID 108946767
1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108897128

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[3,6-dimethyl-2-(methylamino)phenyl]-2-iminoacetamide;ethane?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[3,6-dimethyl-2-(methylamino)phenyl]-2-iminoacetamide;ethane (CID 156793601) is N-[(4-chlorophenyl)methyl]-2-[3,6-dimethyl-2-(methylamino)phenyl]-2-iminoacetamide;ethane.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[3,6-dimethyl-2-(methylamino)phenyl]-2-iminoacetamide;ethane?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[3,6-dimethyl-2-(methylamino)phenyl]-2-iminoacetamide;ethane is CC.[H]/N=C(\C(=O)NCc1ccc(Cl)cc1)c1c(C)ccc(C)c1NC.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[3,6-dimethyl-2-(methylamino)phenyl]-2-iminoacetamide;ethane?
The InChIKey is YADVPAPIHQZUMV-LRZQPWDCSA-N. The full InChI is InChI=1S/C18H20ClN3O.C2H6/c1-11-4-5-12(2)17(21-3)15(11)16(20)18(23)22-10-13-6-8-14(19)9-7-13;1-2/h4-9,20-21H,10H2,1-3H3,(H,22,23);1-2H3/b20-16-;.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[3,6-dimethyl-2-(methylamino)phenyl]-2-iminoacetamide;ethane?
N-[(4-chlorophenyl)methyl]-2-[3,6-dimethyl-2-(methylamino)phenyl]-2-iminoacetamide;ethane has a molecular weight of 359.90 g/mol, XLogP of 4.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[3,6-dimethyl-2-(methylamino)phenyl]-2-iminoacetamide;ethane is sourced from PubChem (CID 156793601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).