1-(3-hydroxy-3-phenylpropyl)-3-pent-3-enylurea

C15H22N2O2 — CID 111481680

IUPAC1-(3-hydroxy-3-phenylpropyl)-3-pent-3-enylurea
SMILESCC=CCCNC(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-2-3-7-11-16-15(19)17-12-10-14(18)13-8-5-4-6-9-13/h2-6,8-9,14,18H,7,10-12H2,1H3,(H2,16,17,19)
InChIKeyIJQBITFVHNSJOJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.38
Rot. Bonds7

About 1-(3-hydroxy-3-phenylpropyl)-3-pent-3-enylurea

1-(3-hydroxy-3-phenylpropyl)-3-pent-3-enylurea (PubChem CID 111481680) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(3-hydroxy-3-phenylpropyl)-3-pent-3-enylurea.

Molecular Properties

Compound Name1-(3-hydroxy-3-phenylpropyl)-3-pent-3-enylurea
PubChem CID111481680
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(3-hydroxy-3-phenylpropyl)-3-pent-3-enylurea
SMILESCC=CCCNC(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-2-3-7-11-16-15(19)17-12-10-14(18)13-8-5-4-6-9-13/h2-6,8-9,14,18H,7,10-12H2,1H3,(H2,16,17,19)
InChIKeyIJQBITFVHNSJOJ-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethylbutyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 111480824
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
1-(3-hydroxy-3-phenylpropyl)-3-(3-methylsulfanylpropyl)urea
CID 111481712
1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 111506398
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
1-[(1-ethylcyclopropyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111833776
N-(3-hydroxy-3-phenylpropyl)butanamide;propane
CID 143470750
N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide
CID 111472033
N-[(3R)-3-hydroxy-3-phenylpropyl]prop-2-enamide
CID 166414439
1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea
CID 97038671
1-[(1-ethylcyclobutyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111969619
1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 111478718

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-phenylpropyl)-3-pent-3-enylurea?
The IUPAC name of 1-(3-hydroxy-3-phenylpropyl)-3-pent-3-enylurea (CID 111481680) is 1-(3-hydroxy-3-phenylpropyl)-3-pent-3-enylurea.
What is the SMILES notation for 1-(3-hydroxy-3-phenylpropyl)-3-pent-3-enylurea?
The canonical SMILES for 1-(3-hydroxy-3-phenylpropyl)-3-pent-3-enylurea is CC=CCCNC(=O)NCCC(O)c1ccccc1.
What is the InChIKey of 1-(3-hydroxy-3-phenylpropyl)-3-pent-3-enylurea?
The InChIKey is IJQBITFVHNSJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-3-7-11-16-15(19)17-12-10-14(18)13-8-5-4-6-9-13/h2-6,8-9,14,18H,7,10-12H2,1H3,(H2,16,17,19).
What are the key properties of 1-(3-hydroxy-3-phenylpropyl)-3-pent-3-enylurea?
1-(3-hydroxy-3-phenylpropyl)-3-pent-3-enylurea has a molecular weight of 262.35 g/mol, XLogP of 2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-phenylpropyl)-3-pent-3-enylurea is sourced from PubChem (CID 111481680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).