1-(2-ethylphenyl)-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]urea

C19H32N4O2 — CID 56790767

IUPAC1-(2-ethylphenyl)-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]urea
SMILESCCc1ccccc1NC(=O)NCCCCN1CCN(CCO)CC1
InChIInChI=1S/C19H32N4O2/c1-2-17-7-3-4-8-18(17)21-19(25)20-9-5-6-10-22-11-13-23(14-12-22)15-16-24/h3-4,7-8,24H,2,5-6,9-16H2,1H3,(H2,20,21,25)
InChIKeyZOQHSPJZJIHKLO-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.76
Rot. Bonds9

About 1-(2-ethylphenyl)-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]urea

1-(2-ethylphenyl)-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]urea (PubChem CID 56790767) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]urea
PubChem CID56790767
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-(2-ethylphenyl)-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]urea
SMILESCCc1ccccc1NC(=O)NCCCCN1CCN(CCO)CC1
InChIInChI=1S/C19H32N4O2/c1-2-17-7-3-4-8-18(17)21-19(25)20-9-5-6-10-22-11-13-23(14-12-22)15-16-24/h3-4,7-8,24H,2,5-6,9-16H2,1H3,(H2,20,21,25)
InChIKeyZOQHSPJZJIHKLO-UHFFFAOYSA-N
XLogP1.76
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]-3-methyl-2-phenylpentanamide
CID 97025367
2-[2-(2-pyrrolidin-1-ylethylcarbamoylamino)phenyl]acetic acid
CID 62636200
1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea
CID 23764430
1-[2-(aziridin-1-yl)ethyl]-3-naphthalen-1-ylurea
CID 598105
1-[2-(azepan-1-yl)phenyl]-3-[4-(4-methylpiperidin-1-yl)butyl]urea
CID 60550959
1-[4-(4-acetylpiperazin-1-yl)butyl]-3-[4-(2-chlorophenyl)phenyl]urea
CID 59840334
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
2-[4-(6-acetamidohexanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39439879
1-[3-(4-benzylpiperazin-1-yl)propyl]-3-(2-hydroxyethyl)urea
CID 110894265
N-(2-ethylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016771
1-hexyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 52594776
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 15989718

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]urea?
The IUPAC name of 1-(2-ethylphenyl)-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]urea (CID 56790767) is 1-(2-ethylphenyl)-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]urea is CCc1ccccc1NC(=O)NCCCCN1CCN(CCO)CC1.
What is the InChIKey of 1-(2-ethylphenyl)-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]urea?
The InChIKey is ZOQHSPJZJIHKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-2-17-7-3-4-8-18(17)21-19(25)20-9-5-6-10-22-11-13-23(14-12-22)15-16-24/h3-4,7-8,24H,2,5-6,9-16H2,1H3,(H2,20,21,25).
What are the key properties of 1-(2-ethylphenyl)-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]urea?
1-(2-ethylphenyl)-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]urea has a molecular weight of 348.49 g/mol, XLogP of 1.76, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]urea is sourced from PubChem (CID 56790767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).