1-(4-amino-2-ethylbutyl)-3-benzylurea

C14H23N3O — CID 107654554

IUPAC1-(4-amino-2-ethylbutyl)-3-benzylurea
SMILESCCC(CCN)CNC(=O)NCc1ccccc1
InChIInChI=1S/C14H23N3O/c1-2-12(8-9-15)10-16-14(18)17-11-13-6-4-3-5-7-13/h3-7,12H,2,8-11,15H2,1H3,(H2,16,17,18)
InChIKeyXZXDROMNKNRJHI-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.86
Rot. Bonds7

About 1-(4-amino-2-ethylbutyl)-3-benzylurea

1-(4-amino-2-ethylbutyl)-3-benzylurea (PubChem CID 107654554) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(4-amino-2-ethylbutyl)-3-benzylurea.

Molecular Properties

Compound Name1-(4-amino-2-ethylbutyl)-3-benzylurea
PubChem CID107654554
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(4-amino-2-ethylbutyl)-3-benzylurea
SMILESCCC(CCN)CNC(=O)NCc1ccccc1
InChIInChI=1S/C14H23N3O/c1-2-12(8-9-15)10-16-14(18)17-11-13-6-4-3-5-7-13/h3-7,12H,2,8-11,15H2,1H3,(H2,16,17,18)
InChIKeyXZXDROMNKNRJHI-UHFFFAOYSA-N
XLogP1.86
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(2-hydroxypropyl)urea
CID 103604143
1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111102261
1-benzyl-3-(2-methyl-3-phenylpropyl)urea
CID 110355137
5-(benzylcarbamoylamino)-4-methylpentanoic acid
CID 82689403
1-(2-ethylhexyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 55739531
1-benzyl-3-butan-2-ylurea
CID 10512480
1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea
CID 32838068
2-ethylpentyl N-benzylcarbamate
CID 58269941
4-[[2-(2-hydroxyethyl)pentylcarbamoylamino]methyl]benzoic acid
CID 122020996
1-benzyl-3-(3-hydroxybutyl)urea
CID 103670110
N-benzylacetamide;ethanamine
CID 22257034
1-[2-(aminomethyl)-2-ethylbutyl]-3-benzylurea
CID 106251034

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-ethylbutyl)-3-benzylurea?
The IUPAC name of 1-(4-amino-2-ethylbutyl)-3-benzylurea (CID 107654554) is 1-(4-amino-2-ethylbutyl)-3-benzylurea.
What is the SMILES notation for 1-(4-amino-2-ethylbutyl)-3-benzylurea?
The canonical SMILES for 1-(4-amino-2-ethylbutyl)-3-benzylurea is CCC(CCN)CNC(=O)NCc1ccccc1.
What is the InChIKey of 1-(4-amino-2-ethylbutyl)-3-benzylurea?
The InChIKey is XZXDROMNKNRJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-12(8-9-15)10-16-14(18)17-11-13-6-4-3-5-7-13/h3-7,12H,2,8-11,15H2,1H3,(H2,16,17,18).
What are the key properties of 1-(4-amino-2-ethylbutyl)-3-benzylurea?
1-(4-amino-2-ethylbutyl)-3-benzylurea has a molecular weight of 249.36 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-ethylbutyl)-3-benzylurea is sourced from PubChem (CID 107654554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).