1-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methylphenyl)urea

C15H19N3O2 — CID 90496420

IUPAC1-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCC(O)c2cccn2C)cc1
InChIInChI=1S/C15H19N3O2/c1-11-5-7-12(8-6-11)17-15(20)16-10-14(19)13-4-3-9-18(13)2/h3-9,14,19H,10H2,1-2H3,(H2,16,17,20)
InChIKeyNWFHHMHGNZPDHW-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.19
Rot. Bonds4

About 1-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methylphenyl)urea

1-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methylphenyl)urea (PubChem CID 90496420) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methylphenyl)urea
PubChem CID90496420
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCC(O)c2cccn2C)cc1
InChIInChI=1S/C15H19N3O2/c1-11-5-7-12(8-6-11)17-15(20)16-10-14(19)13-4-3-9-18(13)2/h3-9,14,19H,10H2,1-2H3,(H2,16,17,20)
InChIKeyNWFHHMHGNZPDHW-UHFFFAOYSA-N
XLogP2.19
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N'-(4-methylphenyl)oxamide
CID 90496364
1-(3,4-dichlorophenyl)-3-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea
CID 95982618
1-(2,6-difluorophenyl)-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea
CID 71781655
N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2,5-dimethylbenzamide
CID 95982457
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide
CID 90496187
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745
1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea
CID 3712236
1-(4-acetylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 38283937
N'-(4-methylphenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 29344036
N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide
CID 95982442
methyl 4-[[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]carbamoyl]benzoate
CID 95982482
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzamide
CID 90496202

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methylphenyl)urea (CID 90496420) is 1-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NCC(O)c2cccn2C)cc1.
What is the InChIKey of 1-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methylphenyl)urea?
The InChIKey is NWFHHMHGNZPDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-5-7-12(8-6-11)17-15(20)16-10-14(19)13-4-3-9-18(13)2/h3-9,14,19H,10H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methylphenyl)urea?
1-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methylphenyl)urea has a molecular weight of 273.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 90496420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).