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

C20H24N4O3 — CID 86996307

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N'-[2-(dimethylcarbamoyl)phenyl]oxamide
SMILESCN(C)C(=O)c1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C20H24N4O3/c1-23(2)15-11-9-14(10-12-15)13-21-18(25)19(26)22-17-8-6-5-7-16(17)20(27)24(3)4/h5-12H,13H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyWGZHVMMCOTUKAK-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.71
Rot. Bonds5

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

N-[[4-(dimethylamino)phenyl]methyl]-N'-[2-(dimethylcarbamoyl)phenyl]oxamide (PubChem CID 86996307) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N'-[2-(dimethylcarbamoyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N'-[2-(dimethylcarbamoyl)phenyl]oxamide
PubChem CID86996307
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N'-[2-(dimethylcarbamoyl)phenyl]oxamide
SMILESCN(C)C(=O)c1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C20H24N4O3/c1-23(2)15-11-9-14(10-12-15)13-21-18(25)19(26)22-17-8-6-5-7-16(17)20(27)24(3)4/h5-12H,13H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyWGZHVMMCOTUKAK-UHFFFAOYSA-N
XLogP1.71
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N'-(2,3-difluorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]oxamide
CID 86856678
N'-[2-(dimethylcarbamoyl)phenyl]-N-[(2,4-dimethylphenyl)methyl]oxamide
CID 87044005
N'-[2-(dimethylcarbamoyl)phenyl]-N-[(5-ethylthiophen-2-yl)methyl]oxamide
CID 86997168
N-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide
CID 61378453
methyl 2-[[2-[(4-chlorophenyl)methylamino]-2-oxoacetyl]amino]benzoate
CID 108507696
N'-[4-(dimethylamino)phenyl]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 2300942
N-[[4-(diethylaminomethyl)phenyl]methyl]-N'-[2-(dimethylamino)phenyl]oxamide
CID 86996652
N-[[4-(dimethylamino)phenyl]methyl]-2-(phenoxymethyl)benzamide
CID 17479222
N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide
CID 4943067
N-[[4-(dimethylamino)phenyl]methyl]-N'-(3-nitrophenyl)oxamide
CID 71894770
N-benzyl-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 7639141
N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide
CID 78882971

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N'-[2-(dimethylcarbamoyl)phenyl]oxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N'-[2-(dimethylcarbamoyl)phenyl]oxamide (CID 86996307) is N-[[4-(dimethylamino)phenyl]methyl]-N'-[2-(dimethylcarbamoyl)phenyl]oxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N'-[2-(dimethylcarbamoyl)phenyl]oxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N'-[2-(dimethylcarbamoyl)phenyl]oxamide is CN(C)C(=O)c1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N'-[2-(dimethylcarbamoyl)phenyl]oxamide?
The InChIKey is WGZHVMMCOTUKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-23(2)15-11-9-14(10-12-15)13-21-18(25)19(26)22-17-8-6-5-7-16(17)20(27)24(3)4/h5-12H,13H2,1-4H3,(H,21,25)(H,22,26).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N'-[2-(dimethylcarbamoyl)phenyl]oxamide?
N-[[4-(dimethylamino)phenyl]methyl]-N'-[2-(dimethylcarbamoyl)phenyl]oxamide has a molecular weight of 368.44 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N'-[2-(dimethylcarbamoyl)phenyl]oxamide is sourced from PubChem (CID 86996307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).