N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(6-methoxy-3-pyridinyl)oxamide

C19H24N4O4 — CID 51971308

IUPACN-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(6-methoxy-3-pyridinyl)oxamide
SMILESCOc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(OC)nc2)N(C)C)cc1
InChIInChI=1S/C19H24N4O4/c1-23(2)16(13-5-8-15(26-3)9-6-13)12-21-18(24)19(25)22-14-7-10-17(27-4)20-11-14/h5-11,16H,12H2,1-4H3,(H,21,24)(H,22,25)/t16-/m0/s1
InChIKeyFXANEZJTIOLCOB-INIZCTEOSA-N
MW372.43 g/mol
LogP1.46
Rot. Bonds7

About N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(6-methoxy-3-pyridinyl)oxamide

N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(6-methoxy-3-pyridinyl)oxamide (PubChem CID 51971308) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(6-methoxy-3-pyridinyl)oxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(6-methoxy-3-pyridinyl)oxamide
PubChem CID51971308
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(6-methoxy-3-pyridinyl)oxamide
SMILESCOc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(OC)nc2)N(C)C)cc1
InChIInChI=1S/C19H24N4O4/c1-23(2)16(13-5-8-15(26-3)9-6-13)12-21-18(24)19(25)22-14-7-10-17(27-4)20-11-14/h5-11,16H,12H2,1-4H3,(H,21,24)(H,22,25)/t16-/m0/s1
InChIKeyFXANEZJTIOLCOB-INIZCTEOSA-N
XLogP1.46
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide
CID 52996681
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(3-hydroxyphenyl)oxamide
CID 51971716
1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 94162609
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(4-ethoxyphenyl)oxamide
CID 7192210
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide
CID 51043301
N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(4-methoxyphenyl)oxamide
CID 40890318
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 43001414
N'-(6-methoxy-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide
CID 51971264
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168501
[(1R)-1-[4-(dimethylamino)phenyl]-2-[[2-(4-methoxyanilino)-2-oxoacetyl]amino]ethyl]-dimethylazanium
CID 7192136
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001828
1-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8681969

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(6-methoxy-3-pyridinyl)oxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(6-methoxy-3-pyridinyl)oxamide (CID 51971308) is N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(6-methoxy-3-pyridinyl)oxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(6-methoxy-3-pyridinyl)oxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(6-methoxy-3-pyridinyl)oxamide is COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(OC)nc2)N(C)C)cc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(6-methoxy-3-pyridinyl)oxamide?
The InChIKey is FXANEZJTIOLCOB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-23(2)16(13-5-8-15(26-3)9-6-13)12-21-18(24)19(25)22-14-7-10-17(27-4)20-11-14/h5-11,16H,12H2,1-4H3,(H,21,24)(H,22,25)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(6-methoxy-3-pyridinyl)oxamide?
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(6-methoxy-3-pyridinyl)oxamide has a molecular weight of 372.43 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(6-methoxy-3-pyridinyl)oxamide is sourced from PubChem (CID 51971308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).