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

C13H18N2O2 — CID 47764322

IUPAC1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea
SMILESO=C(NCCCO)NC1CC1c1ccccc1
InChIInChI=1S/C13H18N2O2/c16-8-4-7-14-13(17)15-12-9-11(12)10-5-2-1-3-6-10/h1-3,5-6,11-12,16H,4,7-9H2,(H2,14,15,17)
InChIKeyHKEZNDCHYAVDLC-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.22
Rot. Bonds5

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

1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea (PubChem CID 47764322) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea
PubChem CID47764322
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea
SMILESO=C(NCCCO)NC1CC1c1ccccc1
InChIInChI=1S/C13H18N2O2/c16-8-4-7-14-13(17)15-12-9-11(12)10-5-2-1-3-6-10/h1-3,5-6,11-12,16H,4,7-9H2,(H2,14,15,17)
InChIKeyHKEZNDCHYAVDLC-UHFFFAOYSA-N
XLogP1.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
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-(4-fluorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea
CID 86843833
1-[2-(2,6-dichlorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea
CID 3323199
2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 55105274
1-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-(2-phenylcyclopropyl)urea
CID 20818984
1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea
CID 111338273
1-(3-hydroxypropyl)-3-[(3R)-5-oxo-1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]urea
CID 124507736
2,2-dimethyl-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoylamino]propanamide
CID 95583258
2-hydroxyethyl N-(2-phenylcyclopropyl)carbamate
CID 79348552
1-[2-(4-fluorophenyl)cyclopentyl]-3-(3-hydroxypropyl)urea
CID 111507674
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea
CID 47764323
3-[[(2-phenylcyclopropyl)carbamoylamino]methyl]pentanoic acid
CID 81066840

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea (CID 47764322) is 1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea is O=C(NCCCO)NC1CC1c1ccccc1.
What is the InChIKey of 1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea?
The InChIKey is HKEZNDCHYAVDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-8-4-7-14-13(17)15-12-9-11(12)10-5-2-1-3-6-10/h1-3,5-6,11-12,16H,4,7-9H2,(H2,14,15,17).
What are the key properties of 1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea?
1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea has a molecular weight of 234.30 g/mol, XLogP of 1.22, 5 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-phenylcyclopropyl)urea is sourced from PubChem (CID 47764322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).