1-hydroxy-1-[3-(4-phenylmethoxyphenyl)cyclopent-2-en-1-yl]urea

C19H20N2O3 — CID 54567920

IUPAC1-hydroxy-1-[3-(4-phenylmethoxyphenyl)cyclopent-2-en-1-yl]urea
SMILESNC(=O)N(O)C1C=C(c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C19H20N2O3/c20-19(22)21(23)17-9-6-16(12-17)15-7-10-18(11-8-15)24-13-14-4-2-1-3-5-14/h1-5,7-8,10-12,17,23H,6,9,13H2,(H2,20,22)
InChIKeyZVDMWHBGFRLLPW-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.58
Rot. Bonds5

About 1-hydroxy-1-[3-(4-phenylmethoxyphenyl)cyclopent-2-en-1-yl]urea

1-hydroxy-1-[3-(4-phenylmethoxyphenyl)cyclopent-2-en-1-yl]urea (PubChem CID 54567920) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-hydroxy-1-[3-(4-phenylmethoxyphenyl)cyclopent-2-en-1-yl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[3-(4-phenylmethoxyphenyl)cyclopent-2-en-1-yl]urea
PubChem CID54567920
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-hydroxy-1-[3-(4-phenylmethoxyphenyl)cyclopent-2-en-1-yl]urea
SMILESNC(=O)N(O)C1C=C(c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C19H20N2O3/c20-19(22)21(23)17-9-6-16(12-17)15-7-10-18(11-8-15)24-13-14-4-2-1-3-5-14/h1-5,7-8,10-12,17,23H,6,9,13H2,(H2,20,22)
InChIKeyZVDMWHBGFRLLPW-UHFFFAOYSA-N
XLogP3.58
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-hydroxy-1-[3-(4-phenylmethoxyphenyl)cyclopent-2-en-1-yl]urea 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

cyclopropyl-(4-phenylmethoxyphenyl)methanone
CID 6482534
1-ethyl-1-(4-phenylmethoxyphenyl)urea
CID 67835509
cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid
CID 67143911
2-(4-phenylmethoxyphenoxy)ethyl carbamate
CID 175203951
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
(5S)-2-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
CID 91514351
4-phenylmethoxybenzoic acid
CID 68896574
2-oxo-2-[(4-phenylmethoxyphenyl)methoxy]acetic acid
CID 57045753
bis[(4-phenylmethoxyphenyl)methyl] propanedioate
CID 57028067
4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid
CID 91248689
benzyl 4-(4-phenylmethoxyphenyl)cyclohexane-1-carboxylate
CID 18655707
9H-fluoren-9-ylmethyl 3-(4-phenylmethoxyphenyl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171965179

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[3-(4-phenylmethoxyphenyl)cyclopent-2-en-1-yl]urea?
The IUPAC name of 1-hydroxy-1-[3-(4-phenylmethoxyphenyl)cyclopent-2-en-1-yl]urea (CID 54567920) is 1-hydroxy-1-[3-(4-phenylmethoxyphenyl)cyclopent-2-en-1-yl]urea.
What is the SMILES notation for 1-hydroxy-1-[3-(4-phenylmethoxyphenyl)cyclopent-2-en-1-yl]urea?
The canonical SMILES for 1-hydroxy-1-[3-(4-phenylmethoxyphenyl)cyclopent-2-en-1-yl]urea is NC(=O)N(O)C1C=C(c2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 1-hydroxy-1-[3-(4-phenylmethoxyphenyl)cyclopent-2-en-1-yl]urea?
The InChIKey is ZVDMWHBGFRLLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c20-19(22)21(23)17-9-6-16(12-17)15-7-10-18(11-8-15)24-13-14-4-2-1-3-5-14/h1-5,7-8,10-12,17,23H,6,9,13H2,(H2,20,22).
What are the key properties of 1-hydroxy-1-[3-(4-phenylmethoxyphenyl)cyclopent-2-en-1-yl]urea?
1-hydroxy-1-[3-(4-phenylmethoxyphenyl)cyclopent-2-en-1-yl]urea has a molecular weight of 324.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[3-(4-phenylmethoxyphenyl)cyclopent-2-en-1-yl]urea is sourced from PubChem (CID 54567920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).