1-benzyl-3-(2-hydroxypropyl)urea

C11H16N2O2 — CID 103604143

IUPAC1-benzyl-3-(2-hydroxypropyl)urea
SMILESCC(O)CNC(=O)NCc1ccccc1
InChIInChI=1S/C11H16N2O2/c1-9(14)7-12-11(15)13-8-10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3,(H2,12,13,15)
InChIKeyBCYBXIBTVQFFMO-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.87
Rot. Bonds4

About 1-benzyl-3-(2-hydroxypropyl)urea

1-benzyl-3-(2-hydroxypropyl)urea (PubChem CID 103604143) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-benzyl-3-(2-hydroxypropyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2-hydroxypropyl)urea
PubChem CID103604143
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-benzyl-3-(2-hydroxypropyl)urea
SMILESCC(O)CNC(=O)NCc1ccccc1
InChIInChI=1S/C11H16N2O2/c1-9(14)7-12-11(15)13-8-10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3,(H2,12,13,15)
InChIKeyBCYBXIBTVQFFMO-UHFFFAOYSA-N
XLogP0.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide
CID 6593599
1-benzyl-3-(3-hydroxybutyl)urea
CID 103670110
1-benzyl-3-(2-methyl-3-phenylpropyl)urea
CID 110355137
1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea
CID 117235352
5-(benzylcarbamoylamino)-4-methylpentanoic acid
CID 82689403
1-[(2S)-2-hydroxypropyl]-3-[(4-methylsulfonylphenyl)methyl]urea
CID 94151759
1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea
CID 32838068
N-[[3-[(2-methylpropylcarbamoylamino)methyl]phenyl]methyl]-2-phenylacetamide
CID 23826181
N-benzyl-3-(2-hydroxypropylamino)propanamide
CID 54048354
1-benzyl-3-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea
CID 97417039
(2S)-1-(benzylamino)propan-2-ol
CID 964914
1-benzyl-3-butan-2-ylurea
CID 10512480

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-hydroxypropyl)urea?
The IUPAC name of 1-benzyl-3-(2-hydroxypropyl)urea (CID 103604143) is 1-benzyl-3-(2-hydroxypropyl)urea.
What is the SMILES notation for 1-benzyl-3-(2-hydroxypropyl)urea?
The canonical SMILES for 1-benzyl-3-(2-hydroxypropyl)urea is CC(O)CNC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(2-hydroxypropyl)urea?
The InChIKey is BCYBXIBTVQFFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9(14)7-12-11(15)13-8-10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3,(H2,12,13,15).
What are the key properties of 1-benzyl-3-(2-hydroxypropyl)urea?
1-benzyl-3-(2-hydroxypropyl)urea has a molecular weight of 208.26 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-hydroxypropyl)urea is sourced from PubChem (CID 103604143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).