N'-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enyloxamide

C15H20N2O2 — CID 2585461

IUPACN'-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C15H20N2O2/c1-4-9-16-14(18)15(19)17-10-12-5-7-13(8-6-12)11(2)3/h4-8,11H,1,9-10H2,2-3H3,(H,16,18)(H,17,19)
InChIKeyAXTRIVKFXIZXIV-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.73
Rot. Bonds5

About N'-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enyloxamide

N'-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enyloxamide (PubChem CID 2585461) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N'-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enyloxamide
PubChem CID2585461
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN'-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C15H20N2O2/c1-4-9-16-14(18)15(19)17-10-12-5-7-13(8-6-12)11(2)3/h4-8,11H,1,9-10H2,2-3H3,(H,16,18)(H,17,19)
InChIKeyAXTRIVKFXIZXIV-UHFFFAOYSA-N
XLogP1.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 59487519
N-[(4-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194584
N'-[4-(dimethylamino)phenyl]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 2300942
4-oxo-4-[(4-propan-2-ylphenyl)methylamino]but-2-enoic acid
CID 76927345
2-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 112685779
N-prop-2-enyl-N'-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]oxamide
CID 17248850
N'-(4-ethylphenyl)-N-prop-2-enyloxamide
CID 7541573
4-(4-propan-2-ylphenoxy)-N-prop-2-enylbutanamide
CID 19207254
1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
CID 172617530
2-[4-(2-methylpropyl)phenyl]-2-oxo-N-prop-2-enylacetamide
CID 94266199
(E)-4-amino-N-[(4-propan-2-ylphenyl)methyl]but-2-enamide
CID 112746821
N'-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide
CID 9158051

Frequently Asked Questions

What is the IUPAC name of N'-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enyloxamide?
The IUPAC name of N'-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enyloxamide (CID 2585461) is N'-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)NCc1ccc(C(C)C)cc1.
What is the InChIKey of N'-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enyloxamide?
The InChIKey is AXTRIVKFXIZXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-9-16-14(18)15(19)17-10-12-5-7-13(8-6-12)11(2)3/h4-8,11H,1,9-10H2,2-3H3,(H,16,18)(H,17,19).
What are the key properties of N'-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enyloxamide?
N'-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enyloxamide has a molecular weight of 260.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enyloxamide is sourced from PubChem (CID 2585461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).