1-(4-hydroxy-2-methylpentyl)-3-(2-propoxyphenyl)urea

C16H26N2O3 — CID 111452855

IUPAC1-(4-hydroxy-2-methylpentyl)-3-(2-propoxyphenyl)urea
SMILESCCCOc1ccccc1NC(=O)NCC(C)CC(C)O
InChIInChI=1S/C16H26N2O3/c1-4-9-21-15-8-6-5-7-14(15)18-16(20)17-11-12(2)10-13(3)19/h5-8,12-13,19H,4,9-11H2,1-3H3,(H2,17,18,20)
InChIKeyUEOTXYGQQTVCET-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.00
Rot. Bonds8

About 1-(4-hydroxy-2-methylpentyl)-3-(2-propoxyphenyl)urea

1-(4-hydroxy-2-methylpentyl)-3-(2-propoxyphenyl)urea (PubChem CID 111452855) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylpentyl)-3-(2-propoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylpentyl)-3-(2-propoxyphenyl)urea
PubChem CID111452855
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-(4-hydroxy-2-methylpentyl)-3-(2-propoxyphenyl)urea
SMILESCCCOc1ccccc1NC(=O)NCC(C)CC(C)O
InChIInChI=1S/C16H26N2O3/c1-4-9-21-15-8-6-5-7-14(15)18-16(20)17-11-12(2)10-13(3)19/h5-8,12-13,19H,4,9-11H2,1-3H3,(H2,17,18,20)
InChIKeyUEOTXYGQQTVCET-UHFFFAOYSA-N
XLogP3.00
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-hydroxy-2-methylpentyl)-3-(2-propoxyphenyl)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

4-[(2-ethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
CID 81072787
1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea
CID 110890857
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propoxyphenyl)urea
CID 110911298
1,3-bis(2-butoxyphenyl)urea
CID 17170447
1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea
CID 38197539
1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea
CID 111103515
methyl N-(2-propoxyphenyl)carbamate
CID 19872099
1-naphthalen-1-yl-3-(2-propoxyphenyl)urea
CID 2067216
2-(azetidin-3-yl)-N-(2-propoxyphenyl)propanamide
CID 116675260
2-amino-N-(2-propoxyphenyl)pentanamide
CID 43702443
1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea
CID 55102521
N-(2-methylbutyl)-2-propoxyaniline
CID 43682211

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylpentyl)-3-(2-propoxyphenyl)urea?
The IUPAC name of 1-(4-hydroxy-2-methylpentyl)-3-(2-propoxyphenyl)urea (CID 111452855) is 1-(4-hydroxy-2-methylpentyl)-3-(2-propoxyphenyl)urea.
What is the SMILES notation for 1-(4-hydroxy-2-methylpentyl)-3-(2-propoxyphenyl)urea?
The canonical SMILES for 1-(4-hydroxy-2-methylpentyl)-3-(2-propoxyphenyl)urea is CCCOc1ccccc1NC(=O)NCC(C)CC(C)O.
What is the InChIKey of 1-(4-hydroxy-2-methylpentyl)-3-(2-propoxyphenyl)urea?
The InChIKey is UEOTXYGQQTVCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-9-21-15-8-6-5-7-14(15)18-16(20)17-11-12(2)10-13(3)19/h5-8,12-13,19H,4,9-11H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(4-hydroxy-2-methylpentyl)-3-(2-propoxyphenyl)urea?
1-(4-hydroxy-2-methylpentyl)-3-(2-propoxyphenyl)urea has a molecular weight of 294.39 g/mol, XLogP of 3.00, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylpentyl)-3-(2-propoxyphenyl)urea is sourced from PubChem (CID 111452855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).