1-cyclopropyl-3-[2-(7-hydroxynaphthalen-1-yl)ethyl]urea

C16H18N2O2 — CID 22912562

IUPAC1-cyclopropyl-3-[2-(7-hydroxynaphthalen-1-yl)ethyl]urea
SMILESO=C(NCCc1cccc2ccc(O)cc12)NC1CC1
InChIInChI=1S/C16H18N2O2/c19-14-7-4-11-2-1-3-12(15(11)10-14)8-9-17-16(20)18-13-5-6-13/h1-4,7,10,13,19H,5-6,8-9H2,(H2,17,18,20)
InChIKeyPFHPVZGAEONRKP-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.55
Rot. Bonds4

About 1-cyclopropyl-3-[2-(7-hydroxynaphthalen-1-yl)ethyl]urea

1-cyclopropyl-3-[2-(7-hydroxynaphthalen-1-yl)ethyl]urea (PubChem CID 22912562) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(7-hydroxynaphthalen-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(7-hydroxynaphthalen-1-yl)ethyl]urea
PubChem CID22912562
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-cyclopropyl-3-[2-(7-hydroxynaphthalen-1-yl)ethyl]urea
SMILESO=C(NCCc1cccc2ccc(O)cc12)NC1CC1
InChIInChI=1S/C16H18N2O2/c19-14-7-4-11-2-1-3-12(15(11)10-14)8-9-17-16(20)18-13-5-6-13/h1-4,7,10,13,19H,5-6,8-9H2,(H2,17,18,20)
InChIKeyPFHPVZGAEONRKP-UHFFFAOYSA-N
XLogP2.55
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 87937821
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1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 95310508
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1-[1-(2-methylpropyl)piperidin-4-yl]-3-(2-quinolin-8-ylethyl)urea
CID 51117990
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(7-hydroxynaphthalen-1-yl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[2-(7-hydroxynaphthalen-1-yl)ethyl]urea (CID 22912562) is 1-cyclopropyl-3-[2-(7-hydroxynaphthalen-1-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(7-hydroxynaphthalen-1-yl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(7-hydroxynaphthalen-1-yl)ethyl]urea is O=C(NCCc1cccc2ccc(O)cc12)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-(7-hydroxynaphthalen-1-yl)ethyl]urea?
The InChIKey is PFHPVZGAEONRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-14-7-4-11-2-1-3-12(15(11)10-14)8-9-17-16(20)18-13-5-6-13/h1-4,7,10,13,19H,5-6,8-9H2,(H2,17,18,20).
What are the key properties of 1-cyclopropyl-3-[2-(7-hydroxynaphthalen-1-yl)ethyl]urea?
1-cyclopropyl-3-[2-(7-hydroxynaphthalen-1-yl)ethyl]urea has a molecular weight of 270.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(7-hydroxynaphthalen-1-yl)ethyl]urea is sourced from PubChem (CID 22912562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).