3,3-dimethyl-N-[2-(3-phenylpropylamino)ethyl]butanamide

C17H28N2O — CID 174761673

IUPAC3,3-dimethyl-N-[2-(3-phenylpropylamino)ethyl]butanamide
SMILESCC(C)(C)CC(=O)NCCNCCCc1ccccc1
InChIInChI=1S/C17H28N2O/c1-17(2,3)14-16(20)19-13-12-18-11-7-10-15-8-5-4-6-9-15/h4-6,8-9,18H,7,10-14H2,1-3H3,(H,19,20)
InChIKeyBKNSSPSZAIEBHS-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.76
Rot. Bonds8

About 3,3-dimethyl-N-[2-(3-phenylpropylamino)ethyl]butanamide

3,3-dimethyl-N-[2-(3-phenylpropylamino)ethyl]butanamide (PubChem CID 174761673) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-(3-phenylpropylamino)ethyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-(3-phenylpropylamino)ethyl]butanamide
PubChem CID174761673
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3,3-dimethyl-N-[2-(3-phenylpropylamino)ethyl]butanamide
SMILESCC(C)(C)CC(=O)NCCNCCCc1ccccc1
InChIInChI=1S/C17H28N2O/c1-17(2,3)14-16(20)19-13-12-18-11-7-10-15-8-5-4-6-9-15/h4-6,8-9,18H,7,10-14H2,1-3H3,(H,19,20)
InChIKeyBKNSSPSZAIEBHS-UHFFFAOYSA-N
XLogP2.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
4-phenyl-N-[2-(propylamino)ethyl]butanamide
CID 62659370
N-butyl-3-(3-phenylpropylamino)propanamide
CID 109012240
3-(tert-butylamino)-N-(3-phenylpropyl)propanamide
CID 60913635
N-[2-(3-hydroxypropylamino)ethyl]-4-phenylbutanamide;propane-2-thiol
CID 145090132
3-hydroxy-N-[3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide
CID 110025454
2-[(4-tert-butylphenyl)methylamino]-N-(3-phenylpropyl)acetamide
CID 118398481
3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide
CID 129259489
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-3,3-dimethylbutanamide
CID 108574334
6-amino-4,4-dimethyl-N-(3-phenylpropyl)hexanamide
CID 65290908
3-(2-methoxyethylamino)-N-(3-phenylpropyl)propanamide
CID 109015207
N'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine
CID 113405378

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-(3-phenylpropylamino)ethyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[2-(3-phenylpropylamino)ethyl]butanamide (CID 174761673) is 3,3-dimethyl-N-[2-(3-phenylpropylamino)ethyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[2-(3-phenylpropylamino)ethyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[2-(3-phenylpropylamino)ethyl]butanamide is CC(C)(C)CC(=O)NCCNCCCc1ccccc1.
What is the InChIKey of 3,3-dimethyl-N-[2-(3-phenylpropylamino)ethyl]butanamide?
The InChIKey is BKNSSPSZAIEBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2,3)14-16(20)19-13-12-18-11-7-10-15-8-5-4-6-9-15/h4-6,8-9,18H,7,10-14H2,1-3H3,(H,19,20).
What are the key properties of 3,3-dimethyl-N-[2-(3-phenylpropylamino)ethyl]butanamide?
3,3-dimethyl-N-[2-(3-phenylpropylamino)ethyl]butanamide has a molecular weight of 276.42 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-(3-phenylpropylamino)ethyl]butanamide is sourced from PubChem (CID 174761673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).