1-benzyl-3-butan-2-ylurea

C12H18N2O — CID 10512480

IUPAC1-benzyl-3-butan-2-ylurea
SMILESCCC(C)NC(=O)NCc1ccccc1
InChIInChI=1S/C12H18N2O/c1-3-10(2)14-12(15)13-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H2,13,14,15)
InChIKeyBXLJGDWVRRHQKX-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.28
Rot. Bonds4

About 1-benzyl-3-butan-2-ylurea

1-benzyl-3-butan-2-ylurea (PubChem CID 10512480) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-benzyl-3-butan-2-ylurea.

Molecular Properties

Compound Name1-benzyl-3-butan-2-ylurea
PubChem CID10512480
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-benzyl-3-butan-2-ylurea
SMILESCCC(C)NC(=O)NCc1ccccc1
InChIInChI=1S/C12H18N2O/c1-3-10(2)14-12(15)13-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H2,13,14,15)
InChIKeyBXLJGDWVRRHQKX-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94035272
N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 60971680
1-(4-amino-4-sulfanylidenebutan-2-yl)-3-benzylurea
CID 107653534
1-butan-2-yl-3-[(3-cyanophenyl)methyl]urea
CID 47216352
(2S,3R)-2-(benzylcarbamoylamino)-3-methylpentanoate
CID 7177499
1-benzyl-3-(1-hydroxy-3-methylbutan-2-yl)urea
CID 74321598
1-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-phenylbutan-2-yl)urea
CID 75865074
1-butan-2-yl-3-(phenoxymethyl)urea
CID 108888781
1-benzyl-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea
CID 3391401
1-butan-2-yl-3-(2-methyl-1-phenylpropan-2-yl)urea
CID 110628349
methyl (2S)-2-(benzylcarbamoylamino)-3-methylbutanoate
CID 2002081
2-(benzylcarbamoylamino)-4-methyl-N-(2-oxopentan-3-yl)pentanamide
CID 166719691

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-butan-2-ylurea?
The IUPAC name of 1-benzyl-3-butan-2-ylurea (CID 10512480) is 1-benzyl-3-butan-2-ylurea.
What is the SMILES notation for 1-benzyl-3-butan-2-ylurea?
The canonical SMILES for 1-benzyl-3-butan-2-ylurea is CCC(C)NC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-butan-2-ylurea?
The InChIKey is BXLJGDWVRRHQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-10(2)14-12(15)13-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-benzyl-3-butan-2-ylurea?
1-benzyl-3-butan-2-ylurea has a molecular weight of 206.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-butan-2-ylurea is sourced from PubChem (CID 10512480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).