N'-(2,2-diethoxyethyl)-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide

C20H34N4O4 — CID 7639297

IUPACN'-(2,2-diethoxyethyl)-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
SMILESCCOC(CNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)OCC
InChIInChI=1S/C20H34N4O4/c1-7-27-18(28-8-2)14-22-20(26)19(25)21-13-17(24(5)6)15-9-11-16(12-10-15)23(3)4/h9-12,17-18H,7-8,13-14H2,1-6H3,(H,21,25)(H,22,26)/t17-/m1/s1
InChIKeyIDXZTTXYVHMZTN-QGZVFWFLSA-N
MW394.52 g/mol
LogP0.99
Rot. Bonds11

About N'-(2,2-diethoxyethyl)-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide

N'-(2,2-diethoxyethyl)-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide (PubChem CID 7639297) has the molecular formula C20H34N4O4 and a molecular weight of 394.52 g/mol. Its IUPAC name is N'-(2,2-diethoxyethyl)-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,2-diethoxyethyl)-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
PubChem CID7639297
Molecular FormulaC20H34N4O4
Molecular Weight394.52 g/mol
Exact Mass394.26
IUPAC NameN'-(2,2-diethoxyethyl)-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
SMILESCCOC(CNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)OCC
InChIInChI=1S/C20H34N4O4/c1-7-27-18(28-8-2)14-22-20(26)19(25)21-13-17(24(5)6)15-9-11-16(12-10-15)23(3)4/h9-12,17-18H,7-8,13-14H2,1-6H3,(H,21,25)(H,22,26)/t17-/m1/s1
InChIKeyIDXZTTXYVHMZTN-QGZVFWFLSA-N
XLogP0.99
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(4-ethoxyphenyl)oxamide
CID 7192210
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]propanamide
CID 7496001
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-ethoxyphenyl)oxamide
CID 7192247
N'-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide
CID 7639168
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-ethoxyacetamide
CID 7495981
N-benzyl-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 7639141
N'-cycloheptyl-N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 18583526
1-tert-butyl-3-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]urea
CID 7496154
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-fluorophenyl)oxamide
CID 7639329
N'-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 18583527
N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7639205
N-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 7639197

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-diethoxyethyl)-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide?
The IUPAC name of N'-(2,2-diethoxyethyl)-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide (CID 7639297) is N'-(2,2-diethoxyethyl)-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide.
What is the SMILES notation for N'-(2,2-diethoxyethyl)-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide?
The canonical SMILES for N'-(2,2-diethoxyethyl)-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide is CCOC(CNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)OCC.
What is the InChIKey of N'-(2,2-diethoxyethyl)-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide?
The InChIKey is IDXZTTXYVHMZTN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H34N4O4/c1-7-27-18(28-8-2)14-22-20(26)19(25)21-13-17(24(5)6)15-9-11-16(12-10-15)23(3)4/h9-12,17-18H,7-8,13-14H2,1-6H3,(H,21,25)(H,22,26)/t17-/m1/s1.
What are the key properties of N'-(2,2-diethoxyethyl)-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide?
N'-(2,2-diethoxyethyl)-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide has a molecular weight of 394.52 g/mol, XLogP of 0.99, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-diethoxyethyl)-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide is sourced from PubChem (CID 7639297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).