N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide

C17H26N2O2 — CID 108957363

IUPACN-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide
SMILESCCN(C(=O)C(C)(C)C(=O)NC(C)C)c1cccc(C)c1
InChIInChI=1S/C17H26N2O2/c1-7-19(14-10-8-9-13(4)11-14)16(21)17(5,6)15(20)18-12(2)3/h8-12H,7H2,1-6H3,(H,18,20)
InChIKeyQHAMXMVCCPRMGY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.90
Rot. Bonds5

About N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide

N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide (PubChem CID 108957363) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide
PubChem CID108957363
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide
SMILESCCN(C(=O)C(C)(C)C(=O)NC(C)C)c1cccc(C)c1
InChIInChI=1S/C17H26N2O2/c1-7-19(14-10-8-9-13(4)11-14)16(21)17(5,6)15(20)18-12(2)3/h8-12H,7H2,1-6H3,(H,18,20)
InChIKeyQHAMXMVCCPRMGY-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967923
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108969620
N-(4-chlorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108969024
3-(4-acetylpiperazin-1-yl)-N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide
CID 108961312
2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide
CID 533177
N-ethyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108962651
N-ethyl-N'-(4-methoxyphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108969447
2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide
CID 79805432
N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108969573
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108970173
N-(3-chloro-4-fluorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108969220
4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144641

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide?
The IUPAC name of N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide (CID 108957363) is N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide.
What is the SMILES notation for N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide?
The canonical SMILES for N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide is CCN(C(=O)C(C)(C)C(=O)NC(C)C)c1cccc(C)c1.
What is the InChIKey of N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide?
The InChIKey is QHAMXMVCCPRMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-7-19(14-10-8-9-13(4)11-14)16(21)17(5,6)15(20)18-12(2)3/h8-12H,7H2,1-6H3,(H,18,20).
What are the key properties of N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide?
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide has a molecular weight of 290.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide is sourced from PubChem (CID 108957363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).