1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxynaphthalen-1-yl)urea

C19H22N2O2 — CID 108913872

IUPAC1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxynaphthalen-1-yl)urea
SMILESC/C(=C\NC(=O)Nc1cccc2c(O)cccc12)C1CCCC1
InChIInChI=1S/C19H22N2O2/c1-13(14-6-2-3-7-14)12-20-19(23)21-17-10-4-9-16-15(17)8-5-11-18(16)22/h4-5,8-12,14,22H,2-3,6-7H2,1H3,(H2,20,21,23)/b13-12+
InChIKeyCTGOEOWRIWCWIV-OUKQBFOZSA-N
MW310.40 g/mol
LogP4.76
Rot. Bonds3

About 1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxynaphthalen-1-yl)urea

1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxynaphthalen-1-yl)urea (PubChem CID 108913872) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxynaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxynaphthalen-1-yl)urea
PubChem CID108913872
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxynaphthalen-1-yl)urea
SMILESC/C(=C\NC(=O)Nc1cccc2c(O)cccc12)C1CCCC1
InChIInChI=1S/C19H22N2O2/c1-13(14-6-2-3-7-14)12-20-19(23)21-17-10-4-9-16-15(17)8-5-11-18(16)22/h4-5,8-12,14,22H,2-3,6-7H2,1H3,(H2,20,21,23)/b13-12+
InChIKeyCTGOEOWRIWCWIV-OUKQBFOZSA-N
XLogP4.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzamide
CID 108914030
1-[(E)-2-cyclopentylprop-1-enyl]-3-phenylurea
CID 108913957
1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,6-difluorophenyl)urea
CID 108913961
1-[(E)-2-cyclopropylethenyl]-3-(5-hydroxynaphthalen-1-yl)urea
CID 108915737
3-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzoic acid
CID 108913800
N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]cyclopentanecarboxamide
CID 2396710
1-[(E)-2-cyclopentylprop-1-enyl]-3-[3-(dimethylamino)phenyl]urea
CID 108914026
1-(1,3-benzodioxol-5-yl)-3-[(E)-2-cyclopentylprop-1-enyl]urea
CID 108914073
4-[[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]methyl]benzoic acid
CID 108913960
1-cyclopentyl-3-[(E)-2-cyclopentylprop-1-enyl]urea
CID 108913852
N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide
CID 64590909
N-(5-hydroxynaphthalen-1-yl)prop-2-enamide
CID 43700254

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxynaphthalen-1-yl)urea?
The IUPAC name of 1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxynaphthalen-1-yl)urea (CID 108913872) is 1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxynaphthalen-1-yl)urea.
What is the SMILES notation for 1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxynaphthalen-1-yl)urea?
The canonical SMILES for 1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxynaphthalen-1-yl)urea is C/C(=C\NC(=O)Nc1cccc2c(O)cccc12)C1CCCC1.
What is the InChIKey of 1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxynaphthalen-1-yl)urea?
The InChIKey is CTGOEOWRIWCWIV-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13(14-6-2-3-7-14)12-20-19(23)21-17-10-4-9-16-15(17)8-5-11-18(16)22/h4-5,8-12,14,22H,2-3,6-7H2,1H3,(H2,20,21,23)/b13-12+.
What are the key properties of 1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxynaphthalen-1-yl)urea?
1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxynaphthalen-1-yl)urea has a molecular weight of 310.40 g/mol, XLogP of 4.76, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxynaphthalen-1-yl)urea is sourced from PubChem (CID 108913872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).