5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide

C16H27N3O — CID 82851272

IUPAC5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide
SMILESCC(N)CCCC(=O)NC(CN(C)C)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-13(17)8-7-11-16(20)18-15(12-19(2)3)14-9-5-4-6-10-14/h4-6,9-10,13,15H,7-8,11-12,17H2,1-3H3,(H,18,20)
InChIKeyJNEMWDFTBYNFAG-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.92
Rot. Bonds8

About 5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide

5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide (PubChem CID 82851272) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide.

Molecular Properties

Compound Name5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide
PubChem CID82851272
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide
SMILESCC(N)CCCC(=O)NC(CN(C)C)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-13(17)8-7-11-16(20)18-15(12-19(2)3)14-9-5-4-6-10-14/h4-6,9-10,13,15H,7-8,11-12,17H2,1-3H3,(H,18,20)
InChIKeyJNEMWDFTBYNFAG-UHFFFAOYSA-N
XLogP1.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(5-aminohexanoylamino)-2-phenylacetate
CID 82851192
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5-amino-N-(2,2-dimethyl-1-phenylpropyl)hexanamide
CID 82848318
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-phenylbutanamide
CID 63324351
3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide
CID 119836141
2-amino-N-[2-(dimethylamino)-1-phenylethyl]butanamide
CID 61248731
5-amino-N-[1-(4-methylphenyl)propyl]hexanamide
CID 82848237
N-[2-(dimethylamino)-1-phenylethyl]-3-(phenylcarbamoylamino)propanamide
CID 24504307
4-chloro-N-[4-[[2-(dimethylamino)-1-phenylethyl]amino]-4-oxobutyl]benzamide
CID 86909670
1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea
CID 78881535
2-(4-aminophenyl)-N-[2-(dimethylamino)-1-phenylethyl]acetamide;dihydrochloride
CID 119836132
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CID 8936932

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide?
The IUPAC name of 5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide (CID 82851272) is 5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide.
What is the SMILES notation for 5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide?
The canonical SMILES for 5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide is CC(N)CCCC(=O)NC(CN(C)C)c1ccccc1.
What is the InChIKey of 5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide?
The InChIKey is JNEMWDFTBYNFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(17)8-7-11-16(20)18-15(12-19(2)3)14-9-5-4-6-10-14/h4-6,9-10,13,15H,7-8,11-12,17H2,1-3H3,(H,18,20).
What are the key properties of 5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide?
5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide has a molecular weight of 277.41 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide is sourced from PubChem (CID 82851272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).