1-[(2-hydroxyphenyl)methyl]-3-(2-oxopropyl)urea

C11H14N2O3 — CID 117235475

IUPAC1-[(2-hydroxyphenyl)methyl]-3-(2-oxopropyl)urea
SMILESCC(=O)CNC(=O)NCc1ccccc1O
InChIInChI=1S/C11H14N2O3/c1-8(14)6-12-11(16)13-7-9-4-2-3-5-10(9)15/h2-5,15H,6-7H2,1H3,(H2,12,13,16)
InChIKeyTUUPJCMDOOFTDH-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.78
Rot. Bonds4

About 1-[(2-hydroxyphenyl)methyl]-3-(2-oxopropyl)urea

1-[(2-hydroxyphenyl)methyl]-3-(2-oxopropyl)urea (PubChem CID 117235475) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-[(2-hydroxyphenyl)methyl]-3-(2-oxopropyl)urea.

Molecular Properties

Compound Name1-[(2-hydroxyphenyl)methyl]-3-(2-oxopropyl)urea
PubChem CID117235475
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-[(2-hydroxyphenyl)methyl]-3-(2-oxopropyl)urea
SMILESCC(=O)CNC(=O)NCc1ccccc1O
InChIInChI=1S/C11H14N2O3/c1-8(14)6-12-11(16)13-7-9-4-2-3-5-10(9)15/h2-5,15H,6-7H2,1H3,(H2,12,13,16)
InChIKeyTUUPJCMDOOFTDH-UHFFFAOYSA-N
XLogP0.78
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-[(2-hydroxyphenyl)methyl]urea
CID 115598931
2-[(2-ethylphenyl)methylcarbamoylamino]acetic acid
CID 64693284
1-[(4-bromophenyl)methyl]-3-(2-oxopropyl)urea
CID 117235576
2-(2-chlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996556
(E)-4-[(2-hydroxyphenyl)methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 114331313
2-chloro-N-[(2-hydroxyphenyl)methyl]propanamide
CID 82109945
ethane;N-[(2-ethylphenyl)methyl]acetamide
CID 142489172
2,6-dihydroxy-N-(2-oxopropyl)benzamide
CID 107688759
N-[(2-hydroxyphenyl)methyl]-2-(propylamino)acetamide
CID 114332282
2-ethyl-N-(2-oxopropyl)benzamide
CID 22084530
N-[(2-bromophenyl)methyl]acetamide
CID 2824953
N-[[2-(sulfanylmethyl)phenyl]methyl]acetamide
CID 145293797

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxyphenyl)methyl]-3-(2-oxopropyl)urea?
The IUPAC name of 1-[(2-hydroxyphenyl)methyl]-3-(2-oxopropyl)urea (CID 117235475) is 1-[(2-hydroxyphenyl)methyl]-3-(2-oxopropyl)urea.
What is the SMILES notation for 1-[(2-hydroxyphenyl)methyl]-3-(2-oxopropyl)urea?
The canonical SMILES for 1-[(2-hydroxyphenyl)methyl]-3-(2-oxopropyl)urea is CC(=O)CNC(=O)NCc1ccccc1O.
What is the InChIKey of 1-[(2-hydroxyphenyl)methyl]-3-(2-oxopropyl)urea?
The InChIKey is TUUPJCMDOOFTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(14)6-12-11(16)13-7-9-4-2-3-5-10(9)15/h2-5,15H,6-7H2,1H3,(H2,12,13,16).
What are the key properties of 1-[(2-hydroxyphenyl)methyl]-3-(2-oxopropyl)urea?
1-[(2-hydroxyphenyl)methyl]-3-(2-oxopropyl)urea has a molecular weight of 222.24 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxyphenyl)methyl]-3-(2-oxopropyl)urea is sourced from PubChem (CID 117235475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).