1-(4-methyl-2-propoxyphenyl)-3-(2-methylpropyl)urea

C15H24N2O2 — CID 47262023

IUPAC1-(4-methyl-2-propoxyphenyl)-3-(2-methylpropyl)urea
SMILESCCCOc1cc(C)ccc1NC(=O)NCC(C)C
InChIInChI=1S/C15H24N2O2/c1-5-8-19-14-9-12(4)6-7-13(14)17-15(18)16-10-11(2)3/h6-7,9,11H,5,8,10H2,1-4H3,(H2,16,17,18)
InChIKeyOPYJWLNFSRHPEA-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.56
Rot. Bonds6

About 1-(4-methyl-2-propoxyphenyl)-3-(2-methylpropyl)urea

1-(4-methyl-2-propoxyphenyl)-3-(2-methylpropyl)urea (PubChem CID 47262023) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(4-methyl-2-propoxyphenyl)-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-(4-methyl-2-propoxyphenyl)-3-(2-methylpropyl)urea
PubChem CID47262023
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(4-methyl-2-propoxyphenyl)-3-(2-methylpropyl)urea
SMILESCCCOc1cc(C)ccc1NC(=O)NCC(C)C
InChIInChI=1S/C15H24N2O2/c1-5-8-19-14-9-12(4)6-7-13(14)17-15(18)16-10-11(2)3/h6-7,9,11H,5,8,10H2,1-4H3,(H2,16,17,18)
InChIKeyOPYJWLNFSRHPEA-UHFFFAOYSA-N
XLogP3.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
1-[2-(diethylamino)ethyl]-3-(4-methyl-2-propoxyphenyl)urea
CID 55925113
2-hydroxy-2-methyl-3-[(4-methyl-2-propoxyphenyl)carbamoylamino]propanoic acid
CID 122076852
N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572
2-methoxy-N-(4-methyl-2-propoxyphenyl)acetamide
CID 61062328
1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea
CID 111336863
phenyl N-(4-methyl-2-propoxyphenyl)carbamate
CID 61216988
2-(tert-butylamino)-N-(4-methyl-2-propoxyphenyl)acetamide
CID 78923766
6-(4-methyl-2-propoxyanilino)-6-oxohexanoic acid
CID 60934555
1-[2-(diethylamino)-4-methylpentyl]-3-(2-methoxy-4-methylphenyl)urea
CID 60545361
2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 107904095
1-(2-ethoxy-4-methylphenyl)-3-prop-2-enylurea
CID 47261966

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-propoxyphenyl)-3-(2-methylpropyl)urea?
The IUPAC name of 1-(4-methyl-2-propoxyphenyl)-3-(2-methylpropyl)urea (CID 47262023) is 1-(4-methyl-2-propoxyphenyl)-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-(4-methyl-2-propoxyphenyl)-3-(2-methylpropyl)urea?
The canonical SMILES for 1-(4-methyl-2-propoxyphenyl)-3-(2-methylpropyl)urea is CCCOc1cc(C)ccc1NC(=O)NCC(C)C.
What is the InChIKey of 1-(4-methyl-2-propoxyphenyl)-3-(2-methylpropyl)urea?
The InChIKey is OPYJWLNFSRHPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-8-19-14-9-12(4)6-7-13(14)17-15(18)16-10-11(2)3/h6-7,9,11H,5,8,10H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-(4-methyl-2-propoxyphenyl)-3-(2-methylpropyl)urea?
1-(4-methyl-2-propoxyphenyl)-3-(2-methylpropyl)urea has a molecular weight of 264.37 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-propoxyphenyl)-3-(2-methylpropyl)urea is sourced from PubChem (CID 47262023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).