1-butyl-3-(3-phenylbutyl)urea

C15H24N2O — CID 115600283

IUPAC1-butyl-3-(3-phenylbutyl)urea
SMILESCCCCNC(=O)NCCC(C)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-4-11-16-15(18)17-12-10-13(2)14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3,(H2,16,17,18)
InChIKeyMSHOHZJZSJRFMK-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.28
Rot. Bonds7

About 1-butyl-3-(3-phenylbutyl)urea

1-butyl-3-(3-phenylbutyl)urea (PubChem CID 115600283) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-butyl-3-(3-phenylbutyl)urea.

Molecular Properties

Compound Name1-butyl-3-(3-phenylbutyl)urea
PubChem CID115600283
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-butyl-3-(3-phenylbutyl)urea
SMILESCCCCNC(=O)NCCC(C)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-4-11-16-15(18)17-12-10-13(2)14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3,(H2,16,17,18)
InChIKeyMSHOHZJZSJRFMK-UHFFFAOYSA-N
XLogP3.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide
CID 125145755
N-butyl-2-phenylpropanamide
CID 101453557
N-(3-phenylbutyl)benzamide
CID 62403316
(2S)-3-hydroxy-2-(3-phenylbutylcarbamoylamino)propanoic acid
CID 62989102
5-oxo-5-(3-phenylbutylamino)pentanoic acid
CID 62987506
3-butyl-1-methyl-1-(1-phenylethyl)urea
CID 102439407
6-oxo-6-(3-phenylbutylamino)hexanoic acid
CID 62987507
1-butyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 94740192
N-butyl-2-hydroxy-2-phenylacetamide
CID 15353717
4-chloro-N-(3-phenylbutyl)butanamide
CID 63308144
N-(3-phenylbutyl)hexan-1-amine
CID 63420973
1-benzhydryl-3-octadecylurea
CID 142646590

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(3-phenylbutyl)urea?
The IUPAC name of 1-butyl-3-(3-phenylbutyl)urea (CID 115600283) is 1-butyl-3-(3-phenylbutyl)urea.
What is the SMILES notation for 1-butyl-3-(3-phenylbutyl)urea?
The canonical SMILES for 1-butyl-3-(3-phenylbutyl)urea is CCCCNC(=O)NCCC(C)c1ccccc1.
What is the InChIKey of 1-butyl-3-(3-phenylbutyl)urea?
The InChIKey is MSHOHZJZSJRFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-4-11-16-15(18)17-12-10-13(2)14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-butyl-3-(3-phenylbutyl)urea?
1-butyl-3-(3-phenylbutyl)urea has a molecular weight of 248.37 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(3-phenylbutyl)urea is sourced from PubChem (CID 115600283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).