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

C22H30N4O3 — CID 7192210

IUPACN-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1
InChIInChI=1S/C22H30N4O3/c1-6-29-19-13-9-17(10-14-19)24-22(28)21(27)23-15-20(26(4)5)16-7-11-18(12-8-16)25(2)3/h7-14,20H,6,15H2,1-5H3,(H,23,27)(H,24,28)/t20-/m1/s1
InChIKeyMTGGZIUNDXHQGZ-HXUWFJFHSA-N
MW398.51 g/mol
LogP2.51
Rot. Bonds8

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

N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(4-ethoxyphenyl)oxamide (PubChem CID 7192210) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(4-ethoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(4-ethoxyphenyl)oxamide
PubChem CID7192210
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1
InChIInChI=1S/C22H30N4O3/c1-6-29-19-13-9-17(10-14-19)24-22(28)21(27)23-15-20(26(4)5)16-7-11-18(12-8-16)25(2)3/h7-14,20H,6,15H2,1-5H3,(H,23,27)(H,24,28)/t20-/m1/s1
InChIKeyMTGGZIUNDXHQGZ-HXUWFJFHSA-N
XLogP2.51
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(4-ethoxyphenyl)oxamide
CID 18583616
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-ethoxyphenyl)oxamide
CID 7192247
N'-(2,2-diethoxyethyl)-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 7639297
N'-(1,3-benzodioxol-5-yl)-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 7192204
1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea
CID 8656372
3-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-1,1-diethylurea
CID 112503851
N'-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide
CID 7639168
[(1R)-1-[4-(dimethylamino)phenyl]-2-[[2-(4-methoxyanilino)-2-oxoacetyl]amino]ethyl]-dimethylazanium
CID 7192136
N'-(4-ethoxyphenyl)-N-[(2R)-2-phenylpropyl]oxamide
CID 40977164
4-butoxy-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 7496136
4-butoxy-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 7496138
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(6-methoxy-3-pyridinyl)oxamide
CID 51971308

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(4-ethoxyphenyl)oxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(4-ethoxyphenyl)oxamide (CID 7192210) is N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(4-ethoxyphenyl)oxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(4-ethoxyphenyl)oxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(4-ethoxyphenyl)oxamide is CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(4-ethoxyphenyl)oxamide?
The InChIKey is MTGGZIUNDXHQGZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-6-29-19-13-9-17(10-14-19)24-22(28)21(27)23-15-20(26(4)5)16-7-11-18(12-8-16)25(2)3/h7-14,20H,6,15H2,1-5H3,(H,23,27)(H,24,28)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(4-ethoxyphenyl)oxamide?
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(4-ethoxyphenyl)oxamide has a molecular weight of 398.51 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(4-ethoxyphenyl)oxamide is sourced from PubChem (CID 7192210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).