1-butyl-1-(4-ethylphenyl)urea

C13H20N2O — CID 45095409

IUPAC1-butyl-1-(4-ethylphenyl)urea
SMILESCCCCN(C(N)=O)c1ccc(CC)cc1
InChIInChI=1S/C13H20N2O/c1-3-5-10-15(13(14)16)12-8-6-11(4-2)7-9-12/h6-9H,3-5,10H2,1-2H3,(H2,14,16)
InChIKeyGTHCTCPLNINXEM-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.93
Rot. Bonds5

About 1-butyl-1-(4-ethylphenyl)urea

1-butyl-1-(4-ethylphenyl)urea (PubChem CID 45095409) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-butyl-1-(4-ethylphenyl)urea.

Molecular Properties

Compound Name1-butyl-1-(4-ethylphenyl)urea
PubChem CID45095409
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-butyl-1-(4-ethylphenyl)urea
SMILESCCCCN(C(N)=O)c1ccc(CC)cc1
InChIInChI=1S/C13H20N2O/c1-3-5-10-15(13(14)16)12-8-6-11(4-2)7-9-12/h6-9H,3-5,10H2,1-2H3,(H2,14,16)
InChIKeyGTHCTCPLNINXEM-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[[4-[carbamoyl-[3-(diethylamino)propyl]amino]phenyl]methyl]phenyl]-1-[3-(diethylamino)propyl]urea
CID 101304136
1,3-dibutyl-1-[4-[butyl-[butyl-[4-(hydroxymethyl)phenyl]carbamoyl]amino]phenyl]-3-[4-(hydroxymethyl)phenyl]urea
CID 129120352
N-[3-(dimethylamino)propyl]-N-(4-ethylphenyl)acetamide
CID 137469739
3-(4-ethyl-N-pentanoylanilino)propanoic acid
CID 82320880
1,3-bis[4-(hydroxymethyl)phenyl]-1,3-dipentylurea
CID 129120364
1-(4-ethylphenyl)-1-(1,3-thiazol-2-ylmethyl)urea
CID 162459036
1-(3-methylphenyl)-1-pentylurea
CID 3032149
3-(N-butyl-4-ethylanilino)-2-methylpropanoic acid
CID 82318061
2-[butyl-[2-(4-ethylphenyl)-2-oxoethyl]amino]acetamide
CID 62052887
1-(3-aminopropyl)-1-(4-fluorophenyl)urea
CID 43136215
N-(2-aminoethyl)-N-(4-ethylphenyl)-2-methylpropanamide
CID 28770054
1-[2-(4-ethylphenyl)ethyl]-1-methylurea
CID 115168590

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-(4-ethylphenyl)urea?
The IUPAC name of 1-butyl-1-(4-ethylphenyl)urea (CID 45095409) is 1-butyl-1-(4-ethylphenyl)urea.
What is the SMILES notation for 1-butyl-1-(4-ethylphenyl)urea?
The canonical SMILES for 1-butyl-1-(4-ethylphenyl)urea is CCCCN(C(N)=O)c1ccc(CC)cc1.
What is the InChIKey of 1-butyl-1-(4-ethylphenyl)urea?
The InChIKey is GTHCTCPLNINXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-5-10-15(13(14)16)12-8-6-11(4-2)7-9-12/h6-9H,3-5,10H2,1-2H3,(H2,14,16).
What are the key properties of 1-butyl-1-(4-ethylphenyl)urea?
1-butyl-1-(4-ethylphenyl)urea has a molecular weight of 220.32 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-(4-ethylphenyl)urea is sourced from PubChem (CID 45095409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).