1-butyl-3-(3-ethylphenyl)-1-methylurea

C14H22N2O — CID 5202320

IUPAC1-butyl-3-(3-ethylphenyl)-1-methylurea
SMILESCCCCN(C)C(=O)Nc1cccc(CC)c1
InChIInChI=1S/C14H22N2O/c1-4-6-10-16(3)14(17)15-13-9-7-8-12(5-2)11-13/h7-9,11H,4-6,10H2,1-3H3,(H,15,17)
InChIKeyIIPDDAVLAYRLBV-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.51
Rot. Bonds5

About 1-butyl-3-(3-ethylphenyl)-1-methylurea

1-butyl-3-(3-ethylphenyl)-1-methylurea (PubChem CID 5202320) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-butyl-3-(3-ethylphenyl)-1-methylurea.

Molecular Properties

Compound Name1-butyl-3-(3-ethylphenyl)-1-methylurea
PubChem CID5202320
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-butyl-3-(3-ethylphenyl)-1-methylurea
SMILESCCCCN(C)C(=O)Nc1cccc(CC)c1
InChIInChI=1S/C14H22N2O/c1-4-6-10-16(3)14(17)15-13-9-7-8-12(5-2)11-13/h7-9,11H,4-6,10H2,1-3H3,(H,15,17)
InChIKeyIIPDDAVLAYRLBV-UHFFFAOYSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-butyl-1-methyl-3-(3-methylphenyl)urea
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2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(3-ethylphenyl)acetamide
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3-[3-(aminomethyl)phenyl]-1-(3-methoxypropyl)-1-methylurea
CID 55140706
1-butyl-1-methyl-3-(3-pyrazol-1-ylphenyl)urea
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1-butyl-3-(3,4-dichlorophenyl)-1-methylurea;N-phenylacetamide
CID 174814667
2-[carboxymethyl-[(3-ethylphenyl)carbamoyl]amino]acetic acid
CID 63645936
N-(3-ethylphenyl)decanamide
CID 4053743
3-[methyl-[[3-(methylaminomethyl)phenyl]carbamoyl]amino]propanoic acid
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1-(3-bromopropyl)-1-methyl-3-(3-methylphenyl)urea
CID 106441564
3-(4-ethylphenyl)-1-methyl-1-propylurea
CID 142207393

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(3-ethylphenyl)-1-methylurea?
The IUPAC name of 1-butyl-3-(3-ethylphenyl)-1-methylurea (CID 5202320) is 1-butyl-3-(3-ethylphenyl)-1-methylurea.
What is the SMILES notation for 1-butyl-3-(3-ethylphenyl)-1-methylurea?
The canonical SMILES for 1-butyl-3-(3-ethylphenyl)-1-methylurea is CCCCN(C)C(=O)Nc1cccc(CC)c1.
What is the InChIKey of 1-butyl-3-(3-ethylphenyl)-1-methylurea?
The InChIKey is IIPDDAVLAYRLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-6-10-16(3)14(17)15-13-9-7-8-12(5-2)11-13/h7-9,11H,4-6,10H2,1-3H3,(H,15,17).
What are the key properties of 1-butyl-3-(3-ethylphenyl)-1-methylurea?
1-butyl-3-(3-ethylphenyl)-1-methylurea has a molecular weight of 234.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(3-ethylphenyl)-1-methylurea is sourced from PubChem (CID 5202320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).