1,3-diethyl-1-(4-phenylbutyl)urea

C15H24N2O — CID 138979891

IUPAC1,3-diethyl-1-(4-phenylbutyl)urea
SMILESCCNC(=O)N(CC)CCCCc1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-16-15(18)17(4-2)13-9-8-12-14-10-6-5-7-11-14/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3,(H,16,18)
InChIKeyCFYYOEOBSWQQDQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.06
Rot. Bonds7

About 1,3-diethyl-1-(4-phenylbutyl)urea

1,3-diethyl-1-(4-phenylbutyl)urea (PubChem CID 138979891) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1,3-diethyl-1-(4-phenylbutyl)urea.

Molecular Properties

Compound Name1,3-diethyl-1-(4-phenylbutyl)urea
PubChem CID138979891
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1,3-diethyl-1-(4-phenylbutyl)urea
SMILESCCNC(=O)N(CC)CCCCc1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-16-15(18)17(4-2)13-9-8-12-14-10-6-5-7-11-14/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3,(H,16,18)
InChIKeyCFYYOEOBSWQQDQ-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.06
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

1-(2-cyanoethyl)-1-ethyl-3-(2-phenylethyl)urea
CID 47075715
N-ethyl-6-phenylhexanamide
CID 70953257
N-dodecyl-N-ethyl-3-phenylpropanamide
CID 91693976
N,N-diethyl-4-(3-phenylpropyl)benzamide
CID 102226026
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661
N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide
CID 115772082
1-ethyl-1-hexyl-3-phenylurea
CID 168918798
methyl 3-[ethyl(4-phenylbutyl)amino]propanoate
CID 114334479
2-[[benzyl(pentyl)carbamoyl]amino]acetic acid
CID 70441420
1,1,3-tris(2-phenylethyl)urea
CID 123287811
carbonic acid;pentylbenzene
CID 157127683
1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891107

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-1-(4-phenylbutyl)urea?
The IUPAC name of 1,3-diethyl-1-(4-phenylbutyl)urea (CID 138979891) is 1,3-diethyl-1-(4-phenylbutyl)urea.
What is the SMILES notation for 1,3-diethyl-1-(4-phenylbutyl)urea?
The canonical SMILES for 1,3-diethyl-1-(4-phenylbutyl)urea is CCNC(=O)N(CC)CCCCc1ccccc1.
What is the InChIKey of 1,3-diethyl-1-(4-phenylbutyl)urea?
The InChIKey is CFYYOEOBSWQQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-16-15(18)17(4-2)13-9-8-12-14-10-6-5-7-11-14/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3,(H,16,18).
What are the key properties of 1,3-diethyl-1-(4-phenylbutyl)urea?
1,3-diethyl-1-(4-phenylbutyl)urea has a molecular weight of 248.37 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-1-(4-phenylbutyl)urea is sourced from PubChem (CID 138979891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).