1-butyl-1-methyl-3-(3-methylphenyl)urea

C13H20N2O — CID 5220454

IUPAC1-butyl-1-methyl-3-(3-methylphenyl)urea
SMILESCCCCN(C)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C13H20N2O/c1-4-5-9-15(3)13(16)14-12-8-6-7-11(2)10-12/h6-8,10H,4-5,9H2,1-3H3,(H,14,16)
InChIKeyBNDJXSVCECVGMF-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.26
Rot. Bonds4

About 1-butyl-1-methyl-3-(3-methylphenyl)urea

1-butyl-1-methyl-3-(3-methylphenyl)urea (PubChem CID 5220454) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-butyl-1-methyl-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-butyl-1-methyl-3-(3-methylphenyl)urea
PubChem CID5220454
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-butyl-1-methyl-3-(3-methylphenyl)urea
SMILESCCCCN(C)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C13H20N2O/c1-4-5-9-15(3)13(16)14-12-8-6-7-11(2)10-12/h6-8,10H,4-5,9H2,1-3H3,(H,14,16)
InChIKeyBNDJXSVCECVGMF-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromopropyl)-1-methyl-3-(3-methylphenyl)urea
CID 106441564
1-butyl-3-(3-ethylphenyl)-1-methylurea
CID 5202320
1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea
CID 61350070
3-(3-acetylphenyl)-1-methyl-1-pentylurea
CID 61347402
N-butyl-N-methyl-3-(3-methylanilino)propanamide
CID 109032339
N-butyl-N-methyl-2-(3-methylanilino)propanamide
CID 112501604
1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 27868172
ethyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetate
CID 47406124
N'-butyl-N-(3-methylphenyl)-N'-propyloxamide
CID 108515660
1-butyl-1-methyl-3-(3-pyrazol-1-ylphenyl)urea
CID 47223913
1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea
CID 60736581
1-butyl-3-(3,4-dichlorophenyl)-1-methylurea;N-phenylacetamide
CID 174814667

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-methyl-3-(3-methylphenyl)urea?
The IUPAC name of 1-butyl-1-methyl-3-(3-methylphenyl)urea (CID 5220454) is 1-butyl-1-methyl-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-butyl-1-methyl-3-(3-methylphenyl)urea?
The canonical SMILES for 1-butyl-1-methyl-3-(3-methylphenyl)urea is CCCCN(C)C(=O)Nc1cccc(C)c1.
What is the InChIKey of 1-butyl-1-methyl-3-(3-methylphenyl)urea?
The InChIKey is BNDJXSVCECVGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-5-9-15(3)13(16)14-12-8-6-7-11(2)10-12/h6-8,10H,4-5,9H2,1-3H3,(H,14,16).
What are the key properties of 1-butyl-1-methyl-3-(3-methylphenyl)urea?
1-butyl-1-methyl-3-(3-methylphenyl)urea has a molecular weight of 220.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-methyl-3-(3-methylphenyl)urea is sourced from PubChem (CID 5220454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).