1-(2-cyclopropylethyl)-3-[4-(oxan-4-ylmethoxy)phenyl]urea

C18H26N2O3 — CID 71992090

IUPAC1-(2-cyclopropylethyl)-3-[4-(oxan-4-ylmethoxy)phenyl]urea
SMILESO=C(NCCC1CC1)Nc1ccc(OCC2CCOCC2)cc1
InChIInChI=1S/C18H26N2O3/c21-18(19-10-7-14-1-2-14)20-16-3-5-17(6-4-16)23-13-15-8-11-22-12-9-15/h3-6,14-15H,1-2,7-13H2,(H2,19,20,21)
InChIKeyMDPXRLYOEMQUGA-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.41
Rot. Bonds7

About 1-(2-cyclopropylethyl)-3-[4-(oxan-4-ylmethoxy)phenyl]urea

1-(2-cyclopropylethyl)-3-[4-(oxan-4-ylmethoxy)phenyl]urea (PubChem CID 71992090) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-3-[4-(oxan-4-ylmethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-3-[4-(oxan-4-ylmethoxy)phenyl]urea
PubChem CID71992090
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-(2-cyclopropylethyl)-3-[4-(oxan-4-ylmethoxy)phenyl]urea
SMILESO=C(NCCC1CC1)Nc1ccc(OCC2CCOCC2)cc1
InChIInChI=1S/C18H26N2O3/c21-18(19-10-7-14-1-2-14)20-16-3-5-17(6-4-16)23-13-15-8-11-22-12-9-15/h3-6,14-15H,1-2,7-13H2,(H2,19,20,21)
InChIKeyMDPXRLYOEMQUGA-UHFFFAOYSA-N
XLogP3.41
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide
CID 119793689
2-amino-2-(oxan-4-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride
CID 120794059
N-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119329303
1-amino-N-[4-(oxan-4-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119329322
4-amino-N-[4-(oxan-4-ylmethoxy)phenyl]pentanamide
CID 120562992
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide
CID 119793699
2-[4-(oxan-4-ylmethoxy)phenyl]acetohydrazide
CID 164513641
1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(oxan-4-yl)ethyl]urea
CID 71583716
3-methyl-1-[[4-(oxan-4-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122085120
2-amino-2-(4-methylphenyl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride
CID 120668645
9-amino-N-[4-(oxan-4-ylmethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990360
N-[4-(oxan-4-ylmethoxy)phenyl]-3-pyrimidin-4-ylpropanamide
CID 126793439

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-3-[4-(oxan-4-ylmethoxy)phenyl]urea?
The IUPAC name of 1-(2-cyclopropylethyl)-3-[4-(oxan-4-ylmethoxy)phenyl]urea (CID 71992090) is 1-(2-cyclopropylethyl)-3-[4-(oxan-4-ylmethoxy)phenyl]urea.
What is the SMILES notation for 1-(2-cyclopropylethyl)-3-[4-(oxan-4-ylmethoxy)phenyl]urea?
The canonical SMILES for 1-(2-cyclopropylethyl)-3-[4-(oxan-4-ylmethoxy)phenyl]urea is O=C(NCCC1CC1)Nc1ccc(OCC2CCOCC2)cc1.
What is the InChIKey of 1-(2-cyclopropylethyl)-3-[4-(oxan-4-ylmethoxy)phenyl]urea?
The InChIKey is MDPXRLYOEMQUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-18(19-10-7-14-1-2-14)20-16-3-5-17(6-4-16)23-13-15-8-11-22-12-9-15/h3-6,14-15H,1-2,7-13H2,(H2,19,20,21).
What are the key properties of 1-(2-cyclopropylethyl)-3-[4-(oxan-4-ylmethoxy)phenyl]urea?
1-(2-cyclopropylethyl)-3-[4-(oxan-4-ylmethoxy)phenyl]urea has a molecular weight of 318.42 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-3-[4-(oxan-4-ylmethoxy)phenyl]urea is sourced from PubChem (CID 71992090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).