1-[(3-methyloxetan-3-yl)methyl]-3-(2-propylphenyl)urea

C15H22N2O2 — CID 72866555

IUPAC1-[(3-methyloxetan-3-yl)methyl]-3-(2-propylphenyl)urea
SMILESCCCc1ccccc1NC(=O)NCC1(C)COC1
InChIInChI=1S/C15H22N2O2/c1-3-6-12-7-4-5-8-13(12)17-14(18)16-9-15(2)10-19-11-15/h4-5,7-8H,3,6,9-11H2,1-2H3,(H2,16,17,18)
InChIKeyYEUNHZLNQQCCRN-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.80
Rot. Bonds5

About 1-[(3-methyloxetan-3-yl)methyl]-3-(2-propylphenyl)urea

1-[(3-methyloxetan-3-yl)methyl]-3-(2-propylphenyl)urea (PubChem CID 72866555) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(3-methyloxetan-3-yl)methyl]-3-(2-propylphenyl)urea.

Molecular Properties

Compound Name1-[(3-methyloxetan-3-yl)methyl]-3-(2-propylphenyl)urea
PubChem CID72866555
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[(3-methyloxetan-3-yl)methyl]-3-(2-propylphenyl)urea
SMILESCCCc1ccccc1NC(=O)NCC1(C)COC1
InChIInChI=1S/C15H22N2O2/c1-3-6-12-7-4-5-8-13(12)17-14(18)16-9-15(2)10-19-11-15/h4-5,7-8H,3,6,9-11H2,1-2H3,(H2,16,17,18)
InChIKeyYEUNHZLNQQCCRN-UHFFFAOYSA-N
XLogP2.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-[(3-methyloxetan-3-yl)methyl]urea
CID 112690764
1-(2-propylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115583957
ethane;N-(2-propylphenyl)acetamide
CID 142804217
1-carbamothioyl-N-(2-propylphenyl)cyclopropane-1-carboxamide
CID 80589899
3-methyl-2-[[(2-propylphenyl)carbamoylamino]methyl]butanoic acid
CID 65220763
1-(3-methoxyphenyl)-3-[(3-methyloxetan-3-yl)methyl]urea
CID 113235126
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-propylphenyl)urea
CID 111120539
(2-propylphenyl)carbamodithioic acid
CID 87193127
1,1-diethyl-3-(2-propylphenyl)urea
CID 113233204
1-[(3-hydroxycyclohexyl)methyl]-3-(2-propylphenyl)urea
CID 111473593
4-methyl-5-[(2-propylphenyl)carbamoylamino]pentanoic acid
CID 82014748
2-(1-hydroxycyclopentyl)-N-(2-propylphenyl)acetamide
CID 111536639

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyloxetan-3-yl)methyl]-3-(2-propylphenyl)urea?
The IUPAC name of 1-[(3-methyloxetan-3-yl)methyl]-3-(2-propylphenyl)urea (CID 72866555) is 1-[(3-methyloxetan-3-yl)methyl]-3-(2-propylphenyl)urea.
What is the SMILES notation for 1-[(3-methyloxetan-3-yl)methyl]-3-(2-propylphenyl)urea?
The canonical SMILES for 1-[(3-methyloxetan-3-yl)methyl]-3-(2-propylphenyl)urea is CCCc1ccccc1NC(=O)NCC1(C)COC1.
What is the InChIKey of 1-[(3-methyloxetan-3-yl)methyl]-3-(2-propylphenyl)urea?
The InChIKey is YEUNHZLNQQCCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-6-12-7-4-5-8-13(12)17-14(18)16-9-15(2)10-19-11-15/h4-5,7-8H,3,6,9-11H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[(3-methyloxetan-3-yl)methyl]-3-(2-propylphenyl)urea?
1-[(3-methyloxetan-3-yl)methyl]-3-(2-propylphenyl)urea has a molecular weight of 262.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyloxetan-3-yl)methyl]-3-(2-propylphenyl)urea is sourced from PubChem (CID 72866555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).