3-[4-(cyclopentyloxymethyl)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea

C18H26N2O3 — CID 111443397

IUPAC3-[4-(cyclopentyloxymethyl)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)Nc1ccc(COC2CCCC2)cc1
InChIInChI=1S/C18H26N2O3/c1-2-11-20(12-13-21)18(22)19-16-9-7-15(8-10-16)14-23-17-5-3-4-6-17/h2,7-10,17,21H,1,3-6,11-14H2,(H,19,22)
InChIKeyHVEFQAYJXMWWTG-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.16
Rot. Bonds8

About 3-[4-(cyclopentyloxymethyl)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea

3-[4-(cyclopentyloxymethyl)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea (PubChem CID 111443397) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-[4-(cyclopentyloxymethyl)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea.

Molecular Properties

Compound Name3-[4-(cyclopentyloxymethyl)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
PubChem CID111443397
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-[4-(cyclopentyloxymethyl)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)Nc1ccc(COC2CCCC2)cc1
InChIInChI=1S/C18H26N2O3/c1-2-11-20(12-13-21)18(22)19-16-9-7-15(8-10-16)14-23-17-5-3-4-6-17/h2,7-10,17,21H,1,3-6,11-14H2,(H,19,22)
InChIKeyHVEFQAYJXMWWTG-UHFFFAOYSA-N
XLogP3.16
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-(cyclopentyloxymethyl)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea
CID 111423629
1-(2-hydroxyethyl)-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea
CID 115633231
3-[4-[[4-[bis(prop-2-enyl)carbamoylamino]phenyl]methyl]phenyl]-1,1-bis(prop-2-enyl)urea
CID 4614522
2-amino-N-[4-(cyclopentyloxymethyl)phenyl]acetamide;hydrochloride
CID 119330098
4-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209575
N-[4-(cyclopentyloxymethyl)phenyl]-2-(methylamino)acetamide
CID 119795210
1-(2-hydroxyethyl)-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-1-prop-2-enylurea
CID 111840807
2-[[4-(cyclopentyloxymethyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976294
(2S)-2-amino-N-[4-(cyclopentyloxymethyl)phenyl]propanamide
CID 119330095
3-(3-bromo-4-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111475913
1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea
CID 111424142
4-(aminomethyl)-N-[4-(cyclopentyloxymethyl)phenyl]benzamide
CID 119330109

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopentyloxymethyl)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The IUPAC name of 3-[4-(cyclopentyloxymethyl)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea (CID 111443397) is 3-[4-(cyclopentyloxymethyl)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea.
What is the SMILES notation for 3-[4-(cyclopentyloxymethyl)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The canonical SMILES for 3-[4-(cyclopentyloxymethyl)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea is C=CCN(CCO)C(=O)Nc1ccc(COC2CCCC2)cc1.
What is the InChIKey of 3-[4-(cyclopentyloxymethyl)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The InChIKey is HVEFQAYJXMWWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-2-11-20(12-13-21)18(22)19-16-9-7-15(8-10-16)14-23-17-5-3-4-6-17/h2,7-10,17,21H,1,3-6,11-14H2,(H,19,22).
What are the key properties of 3-[4-(cyclopentyloxymethyl)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
3-[4-(cyclopentyloxymethyl)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea has a molecular weight of 318.42 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopentyloxymethyl)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea is sourced from PubChem (CID 111443397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).