N-benzyl-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide

C21H28N4O2 — CID 7639141

IUPACN-benzyl-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
SMILESCN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2ccccc2)N(C)C)cc1
InChIInChI=1S/C21H28N4O2/c1-24(2)18-12-10-17(11-13-18)19(25(3)4)15-23-21(27)20(26)22-14-16-8-6-5-7-9-16/h5-13,19H,14-15H2,1-4H3,(H,22,26)(H,23,27)/t19-/m0/s1
InChIKeyUUQWCQYRQHAIJO-IBGZPJMESA-N
MW368.48 g/mol
LogP1.79
Rot. Bonds7

About N-benzyl-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide

N-benzyl-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide (PubChem CID 7639141) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-benzyl-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide.

Molecular Properties

Compound NameN-benzyl-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
PubChem CID7639141
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-benzyl-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
SMILESCN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2ccccc2)N(C)C)cc1
InChIInChI=1S/C21H28N4O2/c1-24(2)18-12-10-17(11-13-18)19(25(3)4)15-23-21(27)20(26)22-14-16-8-6-5-7-9-16/h5-13,19H,14-15H2,1-4H3,(H,22,26)(H,23,27)/t19-/m0/s1
InChIKeyUUQWCQYRQHAIJO-IBGZPJMESA-N
XLogP1.79
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'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-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 18583527
1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea
CID 32838068
N-benzyl-N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]oxamide
CID 7645058
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-fluorophenyl)oxamide
CID 7639329
N-benzyl-N'-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 43996755
N'-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide
CID 7639168
N-benzyl-N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ium-4-ylethyl]oxamide
CID 7644838
N'-(2,2-diethoxyethyl)-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 7639297
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide
CID 7496029
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide
CID 7496027
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]furan-2-carboxamide
CID 7496015
N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7639205

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide?
The IUPAC name of N-benzyl-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide (CID 7639141) is N-benzyl-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide.
What is the SMILES notation for N-benzyl-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide?
The canonical SMILES for N-benzyl-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide is CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2ccccc2)N(C)C)cc1.
What is the InChIKey of N-benzyl-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide?
The InChIKey is UUQWCQYRQHAIJO-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28N4O2/c1-24(2)18-12-10-17(11-13-18)19(25(3)4)15-23-21(27)20(26)22-14-16-8-6-5-7-9-16/h5-13,19H,14-15H2,1-4H3,(H,22,26)(H,23,27)/t19-/m0/s1.
What are the key properties of N-benzyl-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide?
N-benzyl-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide has a molecular weight of 368.48 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide is sourced from PubChem (CID 7639141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).