[4-(2-ethylbutylamino)phenyl]urea

C13H21N3O — CID 43744912

IUPAC[4-(2-ethylbutylamino)phenyl]urea
SMILESCCC(CC)CNc1ccc(NC(N)=O)cc1
InChIInChI=1S/C13H21N3O/c1-3-10(4-2)9-15-11-5-7-12(8-6-11)16-13(14)17/h5-8,10,15H,3-4,9H2,1-2H3,(H3,14,16,17)
InChIKeyJDHXHCSZGOMQRC-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.03
Rot. Bonds6

About [4-(2-ethylbutylamino)phenyl]urea

[4-(2-ethylbutylamino)phenyl]urea (PubChem CID 43744912) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [4-(2-ethylbutylamino)phenyl]urea.

Molecular Properties

Compound Name[4-(2-ethylbutylamino)phenyl]urea
PubChem CID43744912
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[4-(2-ethylbutylamino)phenyl]urea
SMILESCCC(CC)CNc1ccc(NC(N)=O)cc1
InChIInChI=1S/C13H21N3O/c1-3-10(4-2)9-15-11-5-7-12(8-6-11)16-13(14)17/h5-8,10,15H,3-4,9H2,1-2H3,(H3,14,16,17)
InChIKeyJDHXHCSZGOMQRC-UHFFFAOYSA-N
XLogP3.03
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylbutylamino)phenyl]urea?
The IUPAC name of [4-(2-ethylbutylamino)phenyl]urea (CID 43744912) is [4-(2-ethylbutylamino)phenyl]urea.
What is the SMILES notation for [4-(2-ethylbutylamino)phenyl]urea?
The canonical SMILES for [4-(2-ethylbutylamino)phenyl]urea is CCC(CC)CNc1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-(2-ethylbutylamino)phenyl]urea?
The InChIKey is JDHXHCSZGOMQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-10(4-2)9-15-11-5-7-12(8-6-11)16-13(14)17/h5-8,10,15H,3-4,9H2,1-2H3,(H3,14,16,17).
What are the key properties of [4-(2-ethylbutylamino)phenyl]urea?
[4-(2-ethylbutylamino)phenyl]urea has a molecular weight of 235.33 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylbutylamino)phenyl]urea is sourced from PubChem (CID 43744912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).