1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea

C12H18N2O2 — CID 23548352

IUPAC1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
SMILESCOc1ccccc1CNC(=O)NC(C)C
InChIInChI=1S/C12H18N2O2/c1-9(2)14-12(15)13-8-10-6-4-5-7-11(10)16-3/h4-7,9H,8H2,1-3H3,(H2,13,14,15)
InChIKeyGGYRWYKTQSBJLV-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.90
Rot. Bonds4

About 1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea

1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea (PubChem CID 23548352) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
PubChem CID23548352
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
SMILESCOc1ccccc1CNC(=O)NC(C)C
InChIInChI=1S/C12H18N2O2/c1-9(2)14-12(15)13-8-10-6-4-5-7-11(10)16-3/h4-7,9H,8H2,1-3H3,(H2,13,14,15)
InChIKeyGGYRWYKTQSBJLV-UHFFFAOYSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
CID 47375969
methyl 2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoate
CID 4043344
1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea
CID 38152013
(2S,3S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 40614014
(2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-N,4-dimethylpentanamide
CID 94178980
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 62669746
1-[1-(4-tert-butylphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 60541279
1-[(5-chloro-2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 47216838
1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea
CID 51291119
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
1-[(5-ethyl-2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 110775027

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea (CID 23548352) is 1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea is COc1ccccc1CNC(=O)NC(C)C.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea?
The InChIKey is GGYRWYKTQSBJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)14-12(15)13-8-10-6-4-5-7-11(10)16-3/h4-7,9H,8H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea?
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea has a molecular weight of 222.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea is sourced from PubChem (CID 23548352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).