1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea

C12H18N2O2 — CID 115606016

IUPAC1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
SMILESCOc1ccc(NC(=O)NC(C)C)c(C)c1
InChIInChI=1S/C12H18N2O2/c1-8(2)13-12(15)14-11-6-5-10(16-4)7-9(11)3/h5-8H,1-4H3,(H2,13,14,15)
InChIKeyMJTUUCDDAQXKKA-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.53
Rot. Bonds3

About 1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea

1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea (PubChem CID 115606016) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
PubChem CID115606016
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
SMILESCOc1ccc(NC(=O)NC(C)C)c(C)c1
InChIInChI=1S/C12H18N2O2/c1-8(2)13-12(15)14-11-6-5-10(16-4)7-9(11)3/h5-8H,1-4H3,(H2,13,14,15)
InChIKeyMJTUUCDDAQXKKA-UHFFFAOYSA-N
XLogP2.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-methoxyphenyl)-3-propan-2-ylurea
CID 86768816
1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea
CID 111453406
N-(4-methoxy-2-methylphenyl)-2-sulfanylpropanamide
CID 107028771
(2S,3S)-2-[(4-methoxy-2-methylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 62871543
1-amino-3-(4-methoxy-2-methylphenyl)urea
CID 62872642
1-(2,3-dimethylphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860194
4-(4-methoxy-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498313
propan-2-yl N-(4-methoxy-2-methylphenyl)carbamate
CID 116655687
1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea
CID 5199743
1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea
CID 3395267
2-cyano-N-(4-methoxy-2-methylphenyl)-3-methylbutanamide
CID 55129910
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea (CID 115606016) is 1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea is COc1ccc(NC(=O)NC(C)C)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea?
The InChIKey is MJTUUCDDAQXKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)13-12(15)14-11-6-5-10(16-4)7-9(11)3/h5-8H,1-4H3,(H2,13,14,15).
What are the key properties of 1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea?
1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea has a molecular weight of 222.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea is sourced from PubChem (CID 115606016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).