1-benzyl-3-(1-hydroxy-3-methylbutan-2-yl)urea

C13H20N2O2 — CID 74321598

IUPAC1-benzyl-3-(1-hydroxy-3-methylbutan-2-yl)urea
SMILESCC(C)C(CO)NC(=O)NCc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-10(2)12(9-16)15-13(17)14-8-11-6-4-3-5-7-11/h3-7,10,12,16H,8-9H2,1-2H3,(H2,14,15,17)
InChIKeyBABPXDMSQQMKOM-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.50
Rot. Bonds5

About 1-benzyl-3-(1-hydroxy-3-methylbutan-2-yl)urea

1-benzyl-3-(1-hydroxy-3-methylbutan-2-yl)urea (PubChem CID 74321598) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-benzyl-3-(1-hydroxy-3-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(1-hydroxy-3-methylbutan-2-yl)urea
PubChem CID74321598
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-benzyl-3-(1-hydroxy-3-methylbutan-2-yl)urea
SMILESCC(C)C(CO)NC(=O)NCc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-10(2)12(9-16)15-13(17)14-8-11-6-4-3-5-7-11/h3-7,10,12,16H,8-9H2,1-2H3,(H2,14,15,17)
InChIKeyBABPXDMSQQMKOM-UHFFFAOYSA-N
XLogP1.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94035272
1-(1-benzofuran-3-ylmethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 75377076
2-(benzylcarbamoylamino)-3-hydroxypropanoic acid
CID 61183567
1-benzyl-3-butan-2-ylurea
CID 10512480
(2R)-2-(benzylcarbamoylamino)-3-hydroxypropanoic acid
CID 80749676
methyl (2S)-2-(benzylcarbamoylamino)-3-methylbutanoate
CID 2002081
2-(benzylcarbamoylamino)-N-(3-hydroxypropyl)-3-methylbutanamide
CID 78854431
1-[(4-bromophenyl)methyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111506072
2-(benzylcarbamoylamino)-3-methyl-N-[2-(methylamino)ethyl]butanamide
CID 119502329
1-benzyl-3-(2-hydroxypropyl)urea
CID 103604143
1-(4-amino-4-sulfanylidenebutan-2-yl)-3-benzylurea
CID 107653534
4-(acetamidomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79252904

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1-hydroxy-3-methylbutan-2-yl)urea?
The IUPAC name of 1-benzyl-3-(1-hydroxy-3-methylbutan-2-yl)urea (CID 74321598) is 1-benzyl-3-(1-hydroxy-3-methylbutan-2-yl)urea.
What is the SMILES notation for 1-benzyl-3-(1-hydroxy-3-methylbutan-2-yl)urea?
The canonical SMILES for 1-benzyl-3-(1-hydroxy-3-methylbutan-2-yl)urea is CC(C)C(CO)NC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(1-hydroxy-3-methylbutan-2-yl)urea?
The InChIKey is BABPXDMSQQMKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)12(9-16)15-13(17)14-8-11-6-4-3-5-7-11/h3-7,10,12,16H,8-9H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-benzyl-3-(1-hydroxy-3-methylbutan-2-yl)urea?
1-benzyl-3-(1-hydroxy-3-methylbutan-2-yl)urea has a molecular weight of 236.31 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1-hydroxy-3-methylbutan-2-yl)urea is sourced from PubChem (CID 74321598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).