1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea

C15H20N2O3 — CID 47162446

IUPAC1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
SMILESO=C(Nc1cccc(OCC2CCCO2)c1)NC1CC1
InChIInChI=1S/C15H20N2O3/c18-15(16-11-6-7-11)17-12-3-1-4-13(9-12)20-10-14-5-2-8-19-14/h1,3-4,9,11,14H,2,5-8,10H2,(H2,16,17,18)
InChIKeyCJEMQRRJQBUIJV-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.53
Rot. Bonds5

About 1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea

1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea (PubChem CID 47162446) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
PubChem CID47162446
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
SMILESO=C(Nc1cccc(OCC2CCCO2)c1)NC1CC1
InChIInChI=1S/C15H20N2O3/c18-15(16-11-6-7-11)17-12-3-1-4-13(9-12)20-10-14-5-2-8-19-14/h1,3-4,9,11,14H,2,5-8,10H2,(H2,16,17,18)
InChIKeyCJEMQRRJQBUIJV-UHFFFAOYSA-N
XLogP2.53
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445181
1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445173
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
4-[[[3-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]benzoic acid
CID 122075807
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119284123
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119713691
1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(3-prop-2-enoxyphenyl)urea
CID 118777017
1-[(2S)-4-methoxybutan-2-yl]-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 95288894
2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938
2-fluoro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17141893
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea?
The IUPAC name of 1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea (CID 47162446) is 1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea is O=C(Nc1cccc(OCC2CCCO2)c1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea?
The InChIKey is CJEMQRRJQBUIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-15(16-11-6-7-11)17-12-3-1-4-13(9-12)20-10-14-5-2-8-19-14/h1,3-4,9,11,14H,2,5-8,10H2,(H2,16,17,18).
What are the key properties of 1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea?
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea has a molecular weight of 276.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea is sourced from PubChem (CID 47162446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).