1-(3-methoxyphenyl)-3-[(3-methyloxetan-3-yl)methyl]urea

C13H18N2O3 — CID 113235126

IUPAC1-(3-methoxyphenyl)-3-[(3-methyloxetan-3-yl)methyl]urea
SMILESCOc1cccc(NC(=O)NCC2(C)COC2)c1
InChIInChI=1S/C13H18N2O3/c1-13(8-18-9-13)7-14-12(16)15-10-4-3-5-11(6-10)17-2/h3-6H,7-9H2,1-2H3,(H2,14,15,16)
InChIKeyMJMQWUHIEIVQHS-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.85
Rot. Bonds4

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

1-(3-methoxyphenyl)-3-[(3-methyloxetan-3-yl)methyl]urea (PubChem CID 113235126) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[(3-methyloxetan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[(3-methyloxetan-3-yl)methyl]urea
PubChem CID113235126
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-(3-methoxyphenyl)-3-[(3-methyloxetan-3-yl)methyl]urea
SMILESCOc1cccc(NC(=O)NCC2(C)COC2)c1
InChIInChI=1S/C13H18N2O3/c1-13(8-18-9-13)7-14-12(16)15-10-4-3-5-11(6-10)17-2/h3-6H,7-9H2,1-2H3,(H2,14,15,16)
InChIKeyMJMQWUHIEIVQHS-UHFFFAOYSA-N
XLogP1.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide
CID 47140507
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methoxyphenyl)urea
CID 122252739
1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 94516313
1-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)urea
CID 60733422
1-(3-methoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 3774763
4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid
CID 108869139
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 27017960
1-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(3-methoxyphenyl)urea
CID 90535975
1-ethyl-3-[3-(3-methoxyphenyl)phenyl]urea
CID 18977622

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[(3-methyloxetan-3-yl)methyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[(3-methyloxetan-3-yl)methyl]urea (CID 113235126) is 1-(3-methoxyphenyl)-3-[(3-methyloxetan-3-yl)methyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[(3-methyloxetan-3-yl)methyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[(3-methyloxetan-3-yl)methyl]urea is COc1cccc(NC(=O)NCC2(C)COC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[(3-methyloxetan-3-yl)methyl]urea?
The InChIKey is MJMQWUHIEIVQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(8-18-9-13)7-14-12(16)15-10-4-3-5-11(6-10)17-2/h3-6H,7-9H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-(3-methoxyphenyl)-3-[(3-methyloxetan-3-yl)methyl]urea?
1-(3-methoxyphenyl)-3-[(3-methyloxetan-3-yl)methyl]urea has a molecular weight of 250.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[(3-methyloxetan-3-yl)methyl]urea is sourced from PubChem (CID 113235126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).