1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea

C13H20N2O3 — CID 110890857

IUPAC1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea
SMILESCCCOc1ccccc1NC(=O)NCCCO
InChIInChI=1S/C13H20N2O3/c1-2-10-18-12-7-4-3-6-11(12)15-13(17)14-8-5-9-16/h3-4,6-7,16H,2,5,8-10H2,1H3,(H2,14,15,17)
InChIKeyCWUKQZUPPLIZGN-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.98
Rot. Bonds7

About 1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea

1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea (PubChem CID 110890857) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea
PubChem CID110890857
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea
SMILESCCCOc1ccccc1NC(=O)NCCCO
InChIInChI=1S/C13H20N2O3/c1-2-10-18-12-7-4-3-6-11(12)15-13(17)14-8-5-9-16/h3-4,6-7,16H,2,5,8-10H2,1H3,(H2,14,15,17)
InChIKeyCWUKQZUPPLIZGN-UHFFFAOYSA-N
XLogP1.98
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propoxyphenyl)urea
CID 110911298
1,3-bis(2-butoxyphenyl)urea
CID 17170447
1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea
CID 108883575
1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea
CID 38197539
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
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
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
CID 24818671
1-(4-hydroxy-2-methylpentyl)-3-(2-propoxyphenyl)urea
CID 111452855
1-butyl-3-(2-phenoxyphenyl)urea
CID 604054

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea (CID 110890857) is 1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea is CCCOc1ccccc1NC(=O)NCCCO.
What is the InChIKey of 1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea?
The InChIKey is CWUKQZUPPLIZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-10-18-12-7-4-3-6-11(12)15-13(17)14-8-5-9-16/h3-4,6-7,16H,2,5,8-10H2,1H3,(H2,14,15,17).
What are the key properties of 1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea?
1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea has a molecular weight of 252.31 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea is sourced from PubChem (CID 110890857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).