2-phenylbutylurea

C11H16N2O — CID 137320233

IUPAC2-phenylbutylurea
SMILESCCC(CNC(N)=O)c1ccccc1
InChIInChI=1S/C11H16N2O/c1-2-9(8-13-11(12)14)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H3,12,13,14)
InChIKeyFMVVTZMPNDGFJJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.85
Rot. Bonds4

About 2-phenylbutylurea

2-phenylbutylurea (PubChem CID 137320233) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-phenylbutylurea.

Molecular Properties

Compound Name2-phenylbutylurea
PubChem CID137320233
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-phenylbutylurea
SMILESCCC(CNC(N)=O)c1ccccc1
InChIInChI=1S/C11H16N2O/c1-2-9(8-13-11(12)14)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H3,12,13,14)
InChIKeyFMVVTZMPNDGFJJ-UHFFFAOYSA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 4-(carbamoylamino)-3-phenylbutanoate
CID 174939908
3-amino-3-phenyl-N-(2-phenylbutyl)propanamide
CID 119949049
2,2-dimethyl-3-[[(2R)-2-phenylbutyl]carbamoylamino]propanamide
CID 95570545
(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-[(2S)-2-phenylbutyl]propanamide
CID 39678132
1-(2-phenylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 75500959
4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708
N-[2-oxo-2-(2-phenylbutylamino)ethyl]-2-phenylacetamide
CID 51252058
2-(4-hydroxyphenyl)-N-(2-phenylbutyl)acetamide
CID 78807076
N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide
CID 39952483
5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide
CID 26007657
4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride
CID 119271718
2-(4-bromophenyl)-N-(2-phenylbutyl)acetamide
CID 43017681

Frequently Asked Questions

What is the IUPAC name of 2-phenylbutylurea?
The IUPAC name of 2-phenylbutylurea (CID 137320233) is 2-phenylbutylurea.
What is the SMILES notation for 2-phenylbutylurea?
The canonical SMILES for 2-phenylbutylurea is CCC(CNC(N)=O)c1ccccc1.
What is the InChIKey of 2-phenylbutylurea?
The InChIKey is FMVVTZMPNDGFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-9(8-13-11(12)14)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H3,12,13,14).
What are the key properties of 2-phenylbutylurea?
2-phenylbutylurea has a molecular weight of 192.26 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylbutylurea is sourced from PubChem (CID 137320233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).