1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea

C16H26N2O — CID 112824402

IUPAC1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea
SMILESCCCCN(CC)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-5-7-12-18(6-2)16(19)17-15-10-8-14(9-11-15)13(3)4/h8-11,13H,5-7,12H2,1-4H3,(H,17,19)
InChIKeyFBKIRYHBCHNKEO-UHFFFAOYSA-N
MW262.40 g/mol
LogP4.46
Rot. Bonds6

About 1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea

1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea (PubChem CID 112824402) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea
PubChem CID112824402
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea
SMILESCCCCN(CC)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-5-7-12-18(6-2)16(19)17-15-10-8-14(9-11-15)13(3)4/h8-11,13H,5-7,12H2,1-4H3,(H,17,19)
InChIKeyFBKIRYHBCHNKEO-UHFFFAOYSA-N
XLogP4.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-1-[(10-chloroanthracen-9-yl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 42657083
3-[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-(1-phenylethyl)propanamide
CID 42700235
1-ethyl-1-hexyl-3-phenylurea
CID 168918798
2-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 55353682
3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 108795261
1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341996
3-[4-(1-aminoethyl)phenyl]-1-butyl-1-methylurea
CID 61340181
1-ethyl-1-(2-hydroxyethyl)-3-(4-pentylphenyl)urea
CID 110890910
N-butyl-N,2,2-trimethyl-N'-(4-propan-2-ylphenyl)propanediamide
CID 108966504
3-[4-(diethylcarbamoylamino)phenyl]butanoic acid
CID 104501853
3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea
CID 61339464
1-ethyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 39891547

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea (CID 112824402) is 1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea is CCCCN(CC)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea?
The InChIKey is FBKIRYHBCHNKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-7-12-18(6-2)16(19)17-15-10-8-14(9-11-15)13(3)4/h8-11,13H,5-7,12H2,1-4H3,(H,17,19).
What are the key properties of 1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea?
1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea has a molecular weight of 262.40 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 112824402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).