N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N'-(4-methylphenyl)oxamide

C16H19N3O3 — CID 90496364

IUPACN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(O)c2cccn2C)cc1
InChIInChI=1S/C16H19N3O3/c1-11-5-7-12(8-6-11)18-16(22)15(21)17-10-14(20)13-4-3-9-19(13)2/h3-9,14,20H,10H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyZAOMUHBUPNSZQA-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.12
Rot. Bonds4

About N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N'-(4-methylphenyl)oxamide

N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N'-(4-methylphenyl)oxamide (PubChem CID 90496364) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N'-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N'-(4-methylphenyl)oxamide
PubChem CID90496364
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(O)c2cccn2C)cc1
InChIInChI=1S/C16H19N3O3/c1-11-5-7-12(8-6-11)18-16(22)15(21)17-10-14(20)13-4-3-9-19(13)2/h3-9,14,20H,10H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyZAOMUHBUPNSZQA-UHFFFAOYSA-N
XLogP1.12
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methylphenyl)urea
CID 90496420
N'-(4-methylphenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 29344036
N'-(3-chlorophenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 90496385
N'-(3-chloro-4-methoxyphenyl)-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 95982595
N'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 90496403
N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2,5-dimethylbenzamide
CID 95982457
N-[(4-chlorophenyl)methyl]-N'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 90496402
N-[(2-chlorophenyl)methyl]-N'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 71781641
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide
CID 90496187
1-(3,4-dichlorophenyl)-3-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea
CID 95982618
N-(2-hydroxypentyl)-N'-(4-methylphenyl)oxamide
CID 115623569
N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide
CID 95982442

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N'-(4-methylphenyl)oxamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N'-(4-methylphenyl)oxamide (CID 90496364) is N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N'-(4-methylphenyl)oxamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N'-(4-methylphenyl)oxamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N'-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NCC(O)c2cccn2C)cc1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N'-(4-methylphenyl)oxamide?
The InChIKey is ZAOMUHBUPNSZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-5-7-12(8-6-11)18-16(22)15(21)17-10-14(20)13-4-3-9-19(13)2/h3-9,14,20H,10H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N'-(4-methylphenyl)oxamide?
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N'-(4-methylphenyl)oxamide has a molecular weight of 301.35 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N'-(4-methylphenyl)oxamide is sourced from PubChem (CID 90496364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).