N'-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide

C21H27N3O3 — CID 108503202

IUPACN'-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)NCCc2ccc(O)cc2)c(C)c1
InChIInChI=1S/C21H27N3O3/c1-4-24(5-2)17-8-11-19(15(3)14-17)23-21(27)20(26)22-13-12-16-6-9-18(25)10-7-16/h6-11,14,25H,4-5,12-13H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyKOADYINFOGHHNY-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.84
Rot. Bonds7

About N'-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide

N'-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide (PubChem CID 108503202) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N'-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide
PubChem CID108503202
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN'-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)NCCc2ccc(O)cc2)c(C)c1
InChIInChI=1S/C21H27N3O3/c1-4-24(5-2)17-8-11-19(15(3)14-17)23-21(27)20(26)22-13-12-16-6-9-18(25)10-7-16/h6-11,14,25H,4-5,12-13H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyKOADYINFOGHHNY-UHFFFAOYSA-N
XLogP2.84
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108986593
1-[2-(4-bromophenyl)ethyl]-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108902455
N'-[4-(diethylamino)-2-methylphenyl]-N-(5-hydroxypentyl)oxamide
CID 108525861
N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide
CID 108522352
N'-(5-chloro-2-methylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503009
N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523171
2-[4-(diethylamino)-2-methylanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 109000586
N'-[4-(diethylamino)-2-methylphenyl]-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520359
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001260
N'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108529438
N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide
CID 108522130
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982

Frequently Asked Questions

What is the IUPAC name of N'-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
The IUPAC name of N'-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide (CID 108503202) is N'-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide is CCN(CC)c1ccc(NC(=O)C(=O)NCCc2ccc(O)cc2)c(C)c1.
What is the InChIKey of N'-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
The InChIKey is KOADYINFOGHHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-24(5-2)17-8-11-19(15(3)14-17)23-21(27)20(26)22-13-12-16-6-9-18(25)10-7-16/h6-11,14,25H,4-5,12-13H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N'-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide?
N'-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide has a molecular weight of 369.47 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide is sourced from PubChem (CID 108503202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).