2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide

C16H24N2O2 — CID 108957197

IUPAC2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide
SMILESCC(C)NC(=O)C(C)(C)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-11(2)17-14(19)16(4,5)15(20)18-12(3)13-9-7-6-8-10-13/h6-12H,1-5H3,(H,17,19)(H,18,20)
InChIKeyFOPIJCPLNGFWSL-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.41
Rot. Bonds5

About 2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide

2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide (PubChem CID 108957197) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide
PubChem CID108957197
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide
SMILESCC(C)NC(=O)C(C)(C)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-11(2)17-14(19)16(4,5)15(20)18-12(3)13-9-7-6-8-10-13/h6-12H,1-5H3,(H,17,19)(H,18,20)
InChIKeyFOPIJCPLNGFWSL-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
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

2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
2-bromo-2-methyl-N-(1-phenylethyl)propanamide
CID 82109308
N-(4-fluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108962173
2,2-diphenyl-N-(1-phenylethyl)propanamide
CID 2939416
3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide
CID 65264623
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108960183
2,2-dimethyl-N'-(1-phenylethyl)-N,N-dipropylpropanediamide
CID 108962146
3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 63681272
3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 115426736
2,2-dimethyl-N,N'-di(propan-2-yl)propanediamide
CID 108957169
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108962236
N-(2,5-dimethylphenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108962157

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide?
The IUPAC name of 2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide (CID 108957197) is 2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide.
What is the SMILES notation for 2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide?
The canonical SMILES for 2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide is CC(C)NC(=O)C(C)(C)C(=O)NC(C)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide?
The InChIKey is FOPIJCPLNGFWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)17-14(19)16(4,5)15(20)18-12(3)13-9-7-6-8-10-13/h6-12H,1-5H3,(H,17,19)(H,18,20).
What are the key properties of 2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide?
2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide has a molecular weight of 276.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide is sourced from PubChem (CID 108957197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).