1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea

C13H20N2O2 — CID 38155486

IUPAC1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1CCNC(=O)NCCCO
InChIInChI=1S/C13H20N2O2/c1-11-5-2-3-6-12(11)7-9-15-13(17)14-8-4-10-16/h2-3,5-6,16H,4,7-10H2,1H3,(H2,14,15,17)
InChIKeyRWVXIAOYPASRSV-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.22
Rot. Bonds6

About 1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea

1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea (PubChem CID 38155486) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea
PubChem CID38155486
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1CCNC(=O)NCCCO
InChIInChI=1S/C13H20N2O2/c1-11-5-2-3-6-12(11)7-9-15-13(17)14-8-4-10-16/h2-3,5-6,16H,4,7-10H2,1H3,(H2,14,15,17)
InChIKeyRWVXIAOYPASRSV-UHFFFAOYSA-N
XLogP1.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-hydroxyethoxy)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 108899714
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea
CID 47373399
4-[[2-(2-methylphenyl)ethylcarbamoylamino]methyl]benzoic acid
CID 108899701
1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 111507161
3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79762696
1-(hydroxymethyl)-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182408
1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52590743
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 60595877
1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108888695
(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 51921905
1-[2-(2-methylphenyl)ethyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108899727

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea (CID 38155486) is 1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea is Cc1ccccc1CCNC(=O)NCCCO.
What is the InChIKey of 1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea?
The InChIKey is RWVXIAOYPASRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11-5-2-3-6-12(11)7-9-15-13(17)14-8-4-10-16/h2-3,5-6,16H,4,7-10H2,1H3,(H2,14,15,17).
What are the key properties of 1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea?
1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea has a molecular weight of 236.31 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 38155486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).