N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(3-hydroxyphenyl)oxamide

C19H23N3O4 — CID 51971716

IUPACN-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(3-hydroxyphenyl)oxamide
SMILESCOc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(O)c2)N(C)C)cc1
InChIInChI=1S/C19H23N3O4/c1-22(2)17(13-7-9-16(26-3)10-8-13)12-20-18(24)19(25)21-14-5-4-6-15(23)11-14/h4-11,17,23H,12H2,1-3H3,(H,20,24)(H,21,25)/t17-/m1/s1
InChIKeyGGILLFUZYLHLCD-QGZVFWFLSA-N
MW357.41 g/mol
LogP1.76
Rot. Bonds6

About N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(3-hydroxyphenyl)oxamide

N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(3-hydroxyphenyl)oxamide (PubChem CID 51971716) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(3-hydroxyphenyl)oxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(3-hydroxyphenyl)oxamide
PubChem CID51971716
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(3-hydroxyphenyl)oxamide
SMILESCOc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(O)c2)N(C)C)cc1
InChIInChI=1S/C19H23N3O4/c1-22(2)17(13-7-9-16(26-3)10-8-13)12-20-18(24)19(25)21-14-5-4-6-15(23)11-14/h4-11,17,23H,12H2,1-3H3,(H,20,24)(H,21,25)/t17-/m1/s1
InChIKeyGGILLFUZYLHLCD-QGZVFWFLSA-N
XLogP1.76
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(6-methoxy-3-pyridinyl)oxamide
CID 51971308
N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide
CID 45000278
3-[1-(4-methoxyphenyl)ethylamino]phenol
CID 43206982
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
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 3951994
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide
CID 2121688
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-N'-(3-fluorophenyl)oxamide
CID 40847938
N-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
CID 108510255
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 43001414
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(4-ethoxyphenyl)oxamide
CID 7192210

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(3-hydroxyphenyl)oxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(3-hydroxyphenyl)oxamide (CID 51971716) is N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(3-hydroxyphenyl)oxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(3-hydroxyphenyl)oxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(3-hydroxyphenyl)oxamide is COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(O)c2)N(C)C)cc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(3-hydroxyphenyl)oxamide?
The InChIKey is GGILLFUZYLHLCD-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-22(2)17(13-7-9-16(26-3)10-8-13)12-20-18(24)19(25)21-14-5-4-6-15(23)11-14/h4-11,17,23H,12H2,1-3H3,(H,20,24)(H,21,25)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(3-hydroxyphenyl)oxamide?
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(3-hydroxyphenyl)oxamide has a molecular weight of 357.41 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(3-hydroxyphenyl)oxamide is sourced from PubChem (CID 51971716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).