1,1-diethyl-3-(2-hydroxy-4-methylphenyl)urea

C12H18N2O2 — CID 14208459

IUPAC1,1-diethyl-3-(2-hydroxy-4-methylphenyl)urea
SMILESCCN(CC)C(=O)Nc1ccc(C)cc1O
InChIInChI=1S/C12H18N2O2/c1-4-14(5-2)12(16)13-10-7-6-9(3)8-11(10)15/h6-8,15H,4-5H2,1-3H3,(H,13,16)
InChIKeyXZCCHRWHXXZSAM-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.57
Rot. Bonds3

About 1,1-diethyl-3-(2-hydroxy-4-methylphenyl)urea

1,1-diethyl-3-(2-hydroxy-4-methylphenyl)urea (PubChem CID 14208459) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1,1-diethyl-3-(2-hydroxy-4-methylphenyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(2-hydroxy-4-methylphenyl)urea
PubChem CID14208459
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1,1-diethyl-3-(2-hydroxy-4-methylphenyl)urea
SMILESCCN(CC)C(=O)Nc1ccc(C)cc1O
InChIInChI=1S/C12H18N2O2/c1-4-14(5-2)12(16)13-10-7-6-9(3)8-11(10)15/h6-8,15H,4-5H2,1-3H3,(H,13,16)
InChIKeyXZCCHRWHXXZSAM-UHFFFAOYSA-N
XLogP2.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(2-hydroxy-4-methylphenyl)-1,1-dimethylurea
CID 79154521
methyl 4-(diethylcarbamoylamino)-3-hydroxybenzoate
CID 108744866
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
2-ethyl-N-(2-hydroxy-4-methylphenyl)butanamide
CID 1234613
methyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 61269197
2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
CID 23513422
3-(2-amino-4-hydroxyphenyl)-1,1-diethylurea
CID 107698052
(2S)-2-amino-N-(2-hydroxy-4-methylphenyl)butanamide
CID 97315329
4-[[butyl(ethyl)carbamoyl]amino]-3-hydroxybenzoic acid
CID 61186414
1-(2-hydroxy-4-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909666
N-(2-hydroxy-4-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide
CID 108516853
3-[(2-chloro-4-methylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62852285

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(2-hydroxy-4-methylphenyl)urea?
The IUPAC name of 1,1-diethyl-3-(2-hydroxy-4-methylphenyl)urea (CID 14208459) is 1,1-diethyl-3-(2-hydroxy-4-methylphenyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(2-hydroxy-4-methylphenyl)urea?
The canonical SMILES for 1,1-diethyl-3-(2-hydroxy-4-methylphenyl)urea is CCN(CC)C(=O)Nc1ccc(C)cc1O.
What is the InChIKey of 1,1-diethyl-3-(2-hydroxy-4-methylphenyl)urea?
The InChIKey is XZCCHRWHXXZSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-14(5-2)12(16)13-10-7-6-9(3)8-11(10)15/h6-8,15H,4-5H2,1-3H3,(H,13,16).
What are the key properties of 1,1-diethyl-3-(2-hydroxy-4-methylphenyl)urea?
1,1-diethyl-3-(2-hydroxy-4-methylphenyl)urea has a molecular weight of 222.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(2-hydroxy-4-methylphenyl)urea is sourced from PubChem (CID 14208459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).