N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-propylpropanediamide

C16H24N2O2 — CID 108957073

IUPACN-(2,3-dimethylphenyl)-2,2-dimethyl-N'-propylpropanediamide
SMILESCCCNC(=O)C(C)(C)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C16H24N2O2/c1-6-10-17-14(19)16(4,5)15(20)18-13-9-7-8-11(2)12(13)3/h7-9H,6,10H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyLPBDQQXIMSDQHI-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.79
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-propylpropanediamide

N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-propylpropanediamide (PubChem CID 108957073) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-propylpropanediamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2,2-dimethyl-N'-propylpropanediamide
PubChem CID108957073
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2,3-dimethylphenyl)-2,2-dimethyl-N'-propylpropanediamide
SMILESCCCNC(=O)C(C)(C)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C16H24N2O2/c1-6-10-17-14(19)16(4,5)15(20)18-13-9-7-8-11(2)12(13)3/h7-9H,6,10H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyLPBDQQXIMSDQHI-UHFFFAOYSA-N
XLogP2.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-2,2-dimethyl-N'-propylpropanediamide
CID 108957085
N-[(4-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108962818
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108959365
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108968156
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-propylpropanediamide
CID 108957078
ethyl 2-[[2,2-dimethyl-3-oxo-3-(propylamino)propanoyl]amino]benzoate
CID 108957160
N-(2,3-dimethylphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108968149
3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050377
N-(3-chloro-2-methylphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960274
N-butyl-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide
CID 108957871
N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
CID 108961745
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108968157

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-propylpropanediamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-propylpropanediamide (CID 108957073) is N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-propylpropanediamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-propylpropanediamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-propylpropanediamide is CCCNC(=O)C(C)(C)C(=O)Nc1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-propylpropanediamide?
The InChIKey is LPBDQQXIMSDQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-6-10-17-14(19)16(4,5)15(20)18-13-9-7-8-11(2)12(13)3/h7-9H,6,10H2,1-5H3,(H,17,19)(H,18,20).
What are the key properties of N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-propylpropanediamide?
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-propylpropanediamide has a molecular weight of 276.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-propylpropanediamide is sourced from PubChem (CID 108957073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).