[3-(1-hydroxypropan-2-yl)phenyl]urea

C10H14N2O2 — CID 117284641

IUPAC[3-(1-hydroxypropan-2-yl)phenyl]urea
SMILESCC(CO)c1cccc(NC(N)=O)c1
InChIInChI=1S/C10H14N2O2/c1-7(6-13)8-3-2-4-9(5-8)12-10(11)14/h2-5,7,13H,6H2,1H3,(H3,11,12,14)
InChIKeyFFBXGTCLJDSGOR-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.27
Rot. Bonds3

About [3-(1-hydroxypropan-2-yl)phenyl]urea

[3-(1-hydroxypropan-2-yl)phenyl]urea (PubChem CID 117284641) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is [3-(1-hydroxypropan-2-yl)phenyl]urea.

Molecular Properties

Compound Name[3-(1-hydroxypropan-2-yl)phenyl]urea
PubChem CID117284641
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name[3-(1-hydroxypropan-2-yl)phenyl]urea
SMILESCC(CO)c1cccc(NC(N)=O)c1
InChIInChI=1S/C10H14N2O2/c1-7(6-13)8-3-2-4-9(5-8)12-10(11)14/h2-5,7,13H,6H2,1H3,(H3,11,12,14)
InChIKeyFFBXGTCLJDSGOR-UHFFFAOYSA-N
XLogP1.27
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]urea
CID 171858335
N-[3-(1-amino-2-hydroxyethyl)phenyl]acetamide
CID 55296718
[3-[(2-methyl-1-phenylpropyl)amino]phenyl]urea
CID 43790841
3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide
CID 62670686
N-(3-butan-2-ylphenyl)propanamide
CID 139481795
(2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride
CID 119277862
3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119702026
N-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide
CID 55110387
[3-(2,3-dihydroxypropylamino)phenyl]urea
CID 23202913
[3-(3-methylbutylamino)phenyl]urea
CID 43744542
[3-(methylamino)phenyl]urea
CID 23558981
methyl N-[3-(4-aminobutan-2-yl)phenyl]carbamate
CID 115004244

Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxypropan-2-yl)phenyl]urea?
The IUPAC name of [3-(1-hydroxypropan-2-yl)phenyl]urea (CID 117284641) is [3-(1-hydroxypropan-2-yl)phenyl]urea.
What is the SMILES notation for [3-(1-hydroxypropan-2-yl)phenyl]urea?
The canonical SMILES for [3-(1-hydroxypropan-2-yl)phenyl]urea is CC(CO)c1cccc(NC(N)=O)c1.
What is the InChIKey of [3-(1-hydroxypropan-2-yl)phenyl]urea?
The InChIKey is FFBXGTCLJDSGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(6-13)8-3-2-4-9(5-8)12-10(11)14/h2-5,7,13H,6H2,1H3,(H3,11,12,14).
What are the key properties of [3-(1-hydroxypropan-2-yl)phenyl]urea?
[3-(1-hydroxypropan-2-yl)phenyl]urea has a molecular weight of 194.23 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxypropan-2-yl)phenyl]urea is sourced from PubChem (CID 117284641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).