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

C22H30N4O2 — CID 86996652

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-N'-[2-(dimethylamino)phenyl]oxamide
SMILESCCN(CC)Cc1ccc(CNC(=O)C(=O)Nc2ccccc2N(C)C)cc1
InChIInChI=1S/C22H30N4O2/c1-5-26(6-2)16-18-13-11-17(12-14-18)15-23-21(27)22(28)24-19-9-7-8-10-20(19)25(3)4/h7-14H,5-6,15-16H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyHLFJEBNMAADQNJ-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.85
Rot. Bonds8

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

N-[[4-(diethylaminomethyl)phenyl]methyl]-N'-[2-(dimethylamino)phenyl]oxamide (PubChem CID 86996652) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-N'-[2-(dimethylamino)phenyl]oxamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-N'-[2-(dimethylamino)phenyl]oxamide
PubChem CID86996652
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-N'-[2-(dimethylamino)phenyl]oxamide
SMILESCCN(CC)Cc1ccc(CNC(=O)C(=O)Nc2ccccc2N(C)C)cc1
InChIInChI=1S/C22H30N4O2/c1-5-26(6-2)16-18-13-11-17(12-14-18)15-23-21(27)22(28)24-19-9-7-8-10-20(19)25(3)4/h7-14H,5-6,15-16H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyHLFJEBNMAADQNJ-UHFFFAOYSA-N
XLogP2.85
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-[2-(dimethylamino)phenyl]urea
CID 47202175
N-[[4-(dimethylamino)phenyl]methyl]-N'-[2-(dimethylcarbamoyl)phenyl]oxamide
CID 86996307
2-[2-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]acetamide
CID 86988845
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide
CID 24550915
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 110879994
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)phenyl]oxamide
CID 86995621
N-[[2-[ethyl(methyl)amino]phenyl]methyl]-N'-(2-methylphenyl)oxamide
CID 56803385
N'-(2,3-difluorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]oxamide
CID 86856678
2-anilino-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 119835863
methyl 2-[2-(dimethylamino)anilino]-2-oxoacetate
CID 106760603
N'-[2-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide
CID 86995334
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 61259556

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-N'-[2-(dimethylamino)phenyl]oxamide?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-N'-[2-(dimethylamino)phenyl]oxamide (CID 86996652) is N-[[4-(diethylaminomethyl)phenyl]methyl]-N'-[2-(dimethylamino)phenyl]oxamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-N'-[2-(dimethylamino)phenyl]oxamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-N'-[2-(dimethylamino)phenyl]oxamide is CCN(CC)Cc1ccc(CNC(=O)C(=O)Nc2ccccc2N(C)C)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-N'-[2-(dimethylamino)phenyl]oxamide?
The InChIKey is HLFJEBNMAADQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-5-26(6-2)16-18-13-11-17(12-14-18)15-23-21(27)22(28)24-19-9-7-8-10-20(19)25(3)4/h7-14H,5-6,15-16H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-N'-[2-(dimethylamino)phenyl]oxamide?
N-[[4-(diethylaminomethyl)phenyl]methyl]-N'-[2-(dimethylamino)phenyl]oxamide has a molecular weight of 382.51 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-N'-[2-(dimethylamino)phenyl]oxamide is sourced from PubChem (CID 86996652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).