2,2-dimethyl-N'-(1-phenylethyl)-N,N-dipropylpropanediamide

C19H30N2O2 — CID 108962146

IUPAC2,2-dimethyl-N'-(1-phenylethyl)-N,N-dipropylpropanediamide
SMILESCCCN(CCC)C(=O)C(C)(C)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H30N2O2/c1-6-13-21(14-7-2)18(23)19(4,5)17(22)20-15(3)16-11-9-8-10-12-16/h8-12,15H,6-7,13-14H2,1-5H3,(H,20,22)
InChIKeyHVGZLMPENIRORM-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.54
Rot. Bonds8

About 2,2-dimethyl-N'-(1-phenylethyl)-N,N-dipropylpropanediamide

2,2-dimethyl-N'-(1-phenylethyl)-N,N-dipropylpropanediamide (PubChem CID 108962146) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2,2-dimethyl-N'-(1-phenylethyl)-N,N-dipropylpropanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N'-(1-phenylethyl)-N,N-dipropylpropanediamide
PubChem CID108962146
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2,2-dimethyl-N'-(1-phenylethyl)-N,N-dipropylpropanediamide
SMILESCCCN(CCC)C(=O)C(C)(C)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H30N2O2/c1-6-13-21(14-7-2)18(23)19(4,5)17(22)20-15(3)16-11-9-8-10-12-16/h8-12,15H,6-7,13-14H2,1-5H3,(H,20,22)
InChIKeyHVGZLMPENIRORM-UHFFFAOYSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.54
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

2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide
CID 108957197
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108960183
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
(2R)-2-amino-2-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 93340243
2-bromo-2-methyl-N-(1-phenylethyl)propanamide
CID 82109308
2-(1-phenylethylamino)-N,N-dipropylacetamide
CID 54815250
4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832017
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-diphenyl-N-(1-phenylethyl)propanamide
CID 2939416
3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide
CID 65264623
N',N'-dibutyl-N-(1-phenylethyl)oxamide
CID 108507880

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-(1-phenylethyl)-N,N-dipropylpropanediamide?
The IUPAC name of 2,2-dimethyl-N'-(1-phenylethyl)-N,N-dipropylpropanediamide (CID 108962146) is 2,2-dimethyl-N'-(1-phenylethyl)-N,N-dipropylpropanediamide.
What is the SMILES notation for 2,2-dimethyl-N'-(1-phenylethyl)-N,N-dipropylpropanediamide?
The canonical SMILES for 2,2-dimethyl-N'-(1-phenylethyl)-N,N-dipropylpropanediamide is CCCN(CCC)C(=O)C(C)(C)C(=O)NC(C)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N'-(1-phenylethyl)-N,N-dipropylpropanediamide?
The InChIKey is HVGZLMPENIRORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-6-13-21(14-7-2)18(23)19(4,5)17(22)20-15(3)16-11-9-8-10-12-16/h8-12,15H,6-7,13-14H2,1-5H3,(H,20,22).
What are the key properties of 2,2-dimethyl-N'-(1-phenylethyl)-N,N-dipropylpropanediamide?
2,2-dimethyl-N'-(1-phenylethyl)-N,N-dipropylpropanediamide has a molecular weight of 318.46 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-(1-phenylethyl)-N,N-dipropylpropanediamide is sourced from PubChem (CID 108962146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).