1-(3-methoxyphenyl)-1-propan-2-ylurea

C11H16N2O2 — CID 3032131

IUPAC1-(3-methoxyphenyl)-1-propan-2-ylurea
SMILESCOc1cccc(N(C(N)=O)C(C)C)c1
InChIInChI=1S/C11H16N2O2/c1-8(2)13(11(12)14)9-5-4-6-10(7-9)15-3/h4-8H,1-3H3,(H2,12,14)
InChIKeyIBFVYPRQLOQSOF-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.99
Rot. Bonds3

About 1-(3-methoxyphenyl)-1-propan-2-ylurea

1-(3-methoxyphenyl)-1-propan-2-ylurea (PubChem CID 3032131) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-1-propan-2-ylurea
PubChem CID3032131
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(3-methoxyphenyl)-1-propan-2-ylurea
SMILESCOc1cccc(N(C(N)=O)C(C)C)c1
InChIInChI=1S/C11H16N2O2/c1-8(2)13(11(12)14)9-5-4-6-10(7-9)15-3/h4-8H,1-3H3,(H2,12,14)
InChIKeyIBFVYPRQLOQSOF-UHFFFAOYSA-N
XLogP1.99
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxyethyl)-1-(3-methoxyphenyl)urea
CID 91413546
N-(3-phenoxyphenyl)-N-propan-2-ylcarbamoyl chloride
CID 18548239
propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate
CID 116655313
tert-butyl 2-(3-methoxy-N-methylanilino)propanoate
CID 66337235
3-amino-N-(3-methoxyphenyl)-N,2,2,3-tetramethylbutanamide
CID 65267204
1-azabicyclo[2.2.2]octan-3-yl N-(3-methoxyphenyl)-N-propan-2-ylcarbamate
CID 175105008
1-methoxy-3-[methyl(sulfamoyl)amino]benzene
CID 112573732
(2R)-2-(3-methoxyphenyl)propanamide
CID 130713337
2-[[2-(3-methoxyphenyl)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 60680137
4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide
CID 63054512
2-(3-methoxyphenyl)-2-oxoacetamide
CID 116924501
1-[3-[5-(3-methoxyphenoxy)pentoxy]phenyl]-1-sulfanylurea
CID 87605203

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-1-propan-2-ylurea?
The IUPAC name of 1-(3-methoxyphenyl)-1-propan-2-ylurea (CID 3032131) is 1-(3-methoxyphenyl)-1-propan-2-ylurea.
What is the SMILES notation for 1-(3-methoxyphenyl)-1-propan-2-ylurea?
The canonical SMILES for 1-(3-methoxyphenyl)-1-propan-2-ylurea is COc1cccc(N(C(N)=O)C(C)C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-1-propan-2-ylurea?
The InChIKey is IBFVYPRQLOQSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(2)13(11(12)14)9-5-4-6-10(7-9)15-3/h4-8H,1-3H3,(H2,12,14).
What are the key properties of 1-(3-methoxyphenyl)-1-propan-2-ylurea?
1-(3-methoxyphenyl)-1-propan-2-ylurea has a molecular weight of 208.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-1-propan-2-ylurea is sourced from PubChem (CID 3032131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).