N-(2-hydroxy-4-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide

C15H18N2O3 — CID 108516853

IUPACN-(2-hydroxy-4-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide
SMILESC=CCN(CC=C)C(=O)C(=O)Nc1ccc(C)cc1O
InChIInChI=1S/C15H18N2O3/c1-4-8-17(9-5-2)15(20)14(19)16-12-7-6-11(3)10-13(12)18/h4-7,10,18H,1-2,8-9H2,3H3,(H,16,19)
InChIKeyBUERSRHPGFUQAY-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.84
Rot. Bonds5

About N-(2-hydroxy-4-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide

N-(2-hydroxy-4-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide (PubChem CID 108516853) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide
PubChem CID108516853
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(2-hydroxy-4-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide
SMILESC=CCN(CC=C)C(=O)C(=O)Nc1ccc(C)cc1O
InChIInChI=1S/C15H18N2O3/c1-4-8-17(9-5-2)15(20)14(19)16-12-7-6-11(3)10-13(12)18/h4-7,10,18H,1-2,8-9H2,3H3,(H,16,19)
InChIKeyBUERSRHPGFUQAY-UHFFFAOYSA-N
XLogP1.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide
CID 108516758
N-(2-hydroxy-4-methylphenyl)pent-4-enamide
CID 62677203
1,1-diethyl-3-(2-hydroxy-4-methylphenyl)urea
CID 14208459
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
N',N'-bis(2-hydroxyethyl)-N-(2-hydroxy-5-methylphenyl)oxamide
CID 108509860
3-(2-hydroxy-4-methylphenyl)-1,1-dimethylurea
CID 79154521
1-(2-hydroxy-4-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909666
methyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 61269197
N-(4-tert-butylphenyl)-N',N'-bis(prop-2-enyl)oxamide
CID 108516808
2-(4-methylphenyl)-2-oxo-N,N-bis(prop-2-enyl)acetamide
CID 78843339
2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
CID 23513422
N-(3,4-dimethylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide
CID 108523165

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide (CID 108516853) is N-(2-hydroxy-4-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide is C=CCN(CC=C)C(=O)C(=O)Nc1ccc(C)cc1O.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide?
The InChIKey is BUERSRHPGFUQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-8-17(9-5-2)15(20)14(19)16-12-7-6-11(3)10-13(12)18/h4-7,10,18H,1-2,8-9H2,3H3,(H,16,19).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide?
N-(2-hydroxy-4-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide has a molecular weight of 274.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide is sourced from PubChem (CID 108516853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).