N-(3,4-dimethylphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide

C16H22N2O2 — CID 108957663

IUPACN-(3,4-dimethylphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide
SMILESC=CCNC(=O)C(C)(C)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C16H22N2O2/c1-6-9-17-14(19)16(4,5)15(20)18-13-8-7-11(2)12(3)10-13/h6-8,10H,1,9H2,2-5H3,(H,17,19)(H,18,20)
InChIKeyJYTXRTRVXXRWFD-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.57
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide

N-(3,4-dimethylphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide (PubChem CID 108957663) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide
PubChem CID108957663
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(3,4-dimethylphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide
SMILESC=CCNC(=O)C(C)(C)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C16H22N2O2/c1-6-9-17-14(19)16(4,5)15(20)18-13-8-7-11(2)12(3)10-13/h6-8,10H,1,9H2,2-5H3,(H,17,19)(H,18,20)
InChIKeyJYTXRTRVXXRWFD-UHFFFAOYSA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967928
ethyl 4-[[2,2-dimethyl-3-oxo-3-(prop-2-enylamino)propanoyl]amino]benzoate
CID 108957736
N-(4-ethoxyphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide
CID 108957697
N-(3,4-difluorophenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967993
N'-(3,4-dimethylphenyl)-N,N-diethyl-2,2-dimethylpropanediamide
CID 108965699
N-(3,4-dimethylphenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide
CID 108965903
N-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108966089
N-(4-bromo-3-methylphenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959594
N-(3,4-dimethylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224241
N-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110282
N-(3-chloro-2-methylphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967942
N-(3,4-dimethylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320128

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide (CID 108957663) is N-(3,4-dimethylphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide is C=CCNC(=O)C(C)(C)C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide?
The InChIKey is JYTXRTRVXXRWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-6-9-17-14(19)16(4,5)15(20)18-13-8-7-11(2)12(3)10-13/h6-8,10H,1,9H2,2-5H3,(H,17,19)(H,18,20).
What are the key properties of N-(3,4-dimethylphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide?
N-(3,4-dimethylphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide has a molecular weight of 274.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide is sourced from PubChem (CID 108957663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).