N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide

C17H27N3O2 — CID 108960183

IUPACN-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
SMILESCC(NC(=O)C(C)(C)C(=O)NCCN(C)C)c1ccccc1
InChIInChI=1S/C17H27N3O2/c1-13(14-9-7-6-8-10-14)19-16(22)17(2,3)15(21)18-11-12-20(4)5/h6-10,13H,11-12H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyLVQGHMZDEFKZAW-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.57
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide

N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide (PubChem CID 108960183) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
PubChem CID108960183
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
SMILESCC(NC(=O)C(C)(C)C(=O)NCCN(C)C)c1ccccc1
InChIInChI=1S/C17H27N3O2/c1-13(14-9-7-6-8-10-14)19-16(22)17(2,3)15(21)18-11-12-20(4)5/h6-10,13H,11-12H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyLVQGHMZDEFKZAW-UHFFFAOYSA-N
XLogP1.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2207238
2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide
CID 108957197
1-[2-(dimethylamino)ethyl]-3-[(1R)-1-phenylethyl]thiourea
CID 8656313
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108960228
2,2-dimethyl-N'-(1-phenylethyl)-N,N-dipropylpropanediamide
CID 108962146
2,2-dimethyl-N-(1-phenylethyl)-N'-(pyridin-2-ylmethyl)propanediamide
CID 108962105
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
2-bromo-2-methyl-N-(1-phenylethyl)propanamide
CID 82109308
N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108962124
N-[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide
CID 2184828
3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 63681272
3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 115426736

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide (CID 108960183) is N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide is CC(NC(=O)C(C)(C)C(=O)NCCN(C)C)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide?
The InChIKey is LVQGHMZDEFKZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(14-9-7-6-8-10-14)19-16(22)17(2,3)15(21)18-11-12-20(4)5/h6-10,13H,11-12H2,1-5H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide?
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide has a molecular weight of 305.42 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide is sourced from PubChem (CID 108960183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).