1-(1-cyclopropyl-2-phenylethyl)-3-(3-hydroxypropyl)urea

C15H22N2O2 — CID 111435397

IUPAC1-(1-cyclopropyl-2-phenylethyl)-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)NC(Cc1ccccc1)C1CC1
InChIInChI=1S/C15H22N2O2/c18-10-4-9-16-15(19)17-14(13-7-8-13)11-12-5-2-1-3-6-12/h1-3,5-6,13-14,18H,4,7-11H2,(H2,16,17,19)
InChIKeyDVNXOWJDGICYNX-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.69
Rot. Bonds7

About 1-(1-cyclopropyl-2-phenylethyl)-3-(3-hydroxypropyl)urea

1-(1-cyclopropyl-2-phenylethyl)-3-(3-hydroxypropyl)urea (PubChem CID 111435397) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(1-cyclopropyl-2-phenylethyl)-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-(1-cyclopropyl-2-phenylethyl)-3-(3-hydroxypropyl)urea
PubChem CID111435397
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(1-cyclopropyl-2-phenylethyl)-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)NC(Cc1ccccc1)C1CC1
InChIInChI=1S/C15H22N2O2/c18-10-4-9-16-15(19)17-14(13-7-8-13)11-12-5-2-1-3-6-12/h1-3,5-6,13-14,18H,4,7-11H2,(H2,16,17,19)
InChIKeyDVNXOWJDGICYNX-UHFFFAOYSA-N
XLogP1.69
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.69
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-(1-cyclopropyl-2-phenylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618937
4-[[(1-cyclopropyl-2-phenylethyl)carbamoylamino]methyl]benzoic acid
CID 122002941
1-(1-cyclohexyl-2-phenylethyl)-3-(2-fluoroethyl)urea;molecular hydrogen
CID 143584718
1-(dicyclopropylmethyl)-3-(3-phenylpropyl)urea
CID 36509029
1-(1-cyclopropyl-2-phenylethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111438906
1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea
CID 95632300
4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673788
1-benzyl-3-(3-hydroxypropyl)urea
CID 11298735
(2R)-2-(3-cyclopropylpropylcarbamoylamino)-3-phenylpropanoic acid
CID 104902528
1-(1-cyclopentyl-2-phenylethyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 111108863
7-amino-N-(1-cyclopropyl-2-phenylethyl)heptanamide;hydrochloride
CID 119796894
N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide
CID 107028408

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-2-phenylethyl)-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-(1-cyclopropyl-2-phenylethyl)-3-(3-hydroxypropyl)urea (CID 111435397) is 1-(1-cyclopropyl-2-phenylethyl)-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-(1-cyclopropyl-2-phenylethyl)-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-(1-cyclopropyl-2-phenylethyl)-3-(3-hydroxypropyl)urea is O=C(NCCCO)NC(Cc1ccccc1)C1CC1.
What is the InChIKey of 1-(1-cyclopropyl-2-phenylethyl)-3-(3-hydroxypropyl)urea?
The InChIKey is DVNXOWJDGICYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-10-4-9-16-15(19)17-14(13-7-8-13)11-12-5-2-1-3-6-12/h1-3,5-6,13-14,18H,4,7-11H2,(H2,16,17,19).
What are the key properties of 1-(1-cyclopropyl-2-phenylethyl)-3-(3-hydroxypropyl)urea?
1-(1-cyclopropyl-2-phenylethyl)-3-(3-hydroxypropyl)urea has a molecular weight of 262.35 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-2-phenylethyl)-3-(3-hydroxypropyl)urea is sourced from PubChem (CID 111435397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).