1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(2-methoxyphenyl)urea

C26H37N3O6 — CID 56599100

IUPAC1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1
InChIInChI=1S/C26H37N3O6/c1-32-25-9-5-4-8-24(25)29-26(31)28-15-14-27-18-20(30)19-35-23-12-10-22(11-13-23)34-17-16-33-21-6-2-3-7-21/h4-5,8-13,20-21,27,30H,2-3,6-7,14-19H2,1H3,(H2,28,29,31)
InChIKeyMVDPQSQVDQGQIE-UHFFFAOYSA-N
MW487.60 g/mol
LogP3.18
Rot. Bonds15

About 1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(2-methoxyphenyl)urea

1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(2-methoxyphenyl)urea (PubChem CID 56599100) has the molecular formula C26H37N3O6 and a molecular weight of 487.60 g/mol. Its IUPAC name is 1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(2-methoxyphenyl)urea
PubChem CID56599100
Molecular FormulaC26H37N3O6
Molecular Weight487.60 g/mol
Exact Mass487.27
IUPAC Name1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1
InChIInChI=1S/C26H37N3O6/c1-32-25-9-5-4-8-24(25)29-26(31)28-15-14-27-18-20(30)19-35-23-12-10-22(11-13-23)34-17-16-33-21-6-2-3-7-21/h4-5,8-13,20-21,27,30H,2-3,6-7,14-19H2,1H3,(H2,28,29,31)
InChIKeyMVDPQSQVDQGQIE-UHFFFAOYSA-N
XLogP3.18
TPSA110.31 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(2-methoxyphenyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(2-methoxyphenyl)urea (CID 56599100) is 1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1.
What is the InChIKey of 1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(2-methoxyphenyl)urea?
The InChIKey is MVDPQSQVDQGQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O6/c1-32-25-9-5-4-8-24(25)29-26(31)28-15-14-27-18-20(30)19-35-23-12-10-22(11-13-23)34-17-16-33-21-6-2-3-7-21/h4-5,8-13,20-21,27,30H,2-3,6-7,14-19H2,1H3,(H2,28,29,31).
What are the key properties of 1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(2-methoxyphenyl)urea?
1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(2-methoxyphenyl)urea has a molecular weight of 487.60 g/mol, XLogP of 3.18, 15 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 56599100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).