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

C14H22N2O — CID 102439407

IUPAC3-butyl-1-methyl-1-(1-phenylethyl)urea
SMILESCCCCNC(=O)N(C)C(C)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-4-5-11-15-14(17)16(3)12(2)13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3,(H,15,17)
InChIKeyBTPICLDGCHUZHY-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.19
Rot. Bonds5

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

3-butyl-1-methyl-1-(1-phenylethyl)urea (PubChem CID 102439407) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-butyl-1-methyl-1-(1-phenylethyl)urea.

Molecular Properties

Compound Name3-butyl-1-methyl-1-(1-phenylethyl)urea
PubChem CID102439407
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-butyl-1-methyl-1-(1-phenylethyl)urea
SMILESCCCCNC(=O)N(C)C(C)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-4-5-11-15-14(17)16(3)12(2)13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3,(H,15,17)
InChIKeyBTPICLDGCHUZHY-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-butyl-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 113221619
1-[1-(3-aminophenyl)ethyl]-3-butyl-1-methylurea
CID 43551136
1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea
CID 18144066
N-butyl-2-phenylpropanamide
CID 101453557
1-butyl-3-(3-phenylbutyl)urea
CID 115600283
1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea
CID 86914055
3-(3,3-diphenylpropyl)-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea
CID 43074821
N-butyl-2-hydroxy-2-phenylacetamide
CID 15353717
1-methyl-3-[2-(N-methylanilino)ethyl]-1-[1-(4-methylphenyl)ethyl]urea
CID 78886133
2-[methyl(3-phenylbutylcarbamoyl)amino]propanoic acid
CID 62988748
3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea
CID 51729179
3-(2,6-dipropylphenyl)-1-methyl-1-(1-phenylethyl)urea
CID 142476552

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-methyl-1-(1-phenylethyl)urea?
The IUPAC name of 3-butyl-1-methyl-1-(1-phenylethyl)urea (CID 102439407) is 3-butyl-1-methyl-1-(1-phenylethyl)urea.
What is the SMILES notation for 3-butyl-1-methyl-1-(1-phenylethyl)urea?
The canonical SMILES for 3-butyl-1-methyl-1-(1-phenylethyl)urea is CCCCNC(=O)N(C)C(C)c1ccccc1.
What is the InChIKey of 3-butyl-1-methyl-1-(1-phenylethyl)urea?
The InChIKey is BTPICLDGCHUZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-5-11-15-14(17)16(3)12(2)13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3,(H,15,17).
What are the key properties of 3-butyl-1-methyl-1-(1-phenylethyl)urea?
3-butyl-1-methyl-1-(1-phenylethyl)urea has a molecular weight of 234.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-methyl-1-(1-phenylethyl)urea is sourced from PubChem (CID 102439407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).