6-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethylhexanamide

C18H28N2O3 — CID 168989675

IUPAC6-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethylhexanamide
SMILESCCN(C(=O)CCCCCN)C(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C18H28N2O3/c1-3-20(18(21)7-5-4-6-10-19)14(2)11-15-8-9-16-17(12-15)23-13-22-16/h8-9,12,14H,3-7,10-11,13,19H2,1-2H3
InChIKeyVXFQLDDGBXSNMN-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.71
Rot. Bonds9

About 6-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethylhexanamide

6-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethylhexanamide (PubChem CID 168989675) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 6-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethylhexanamide.

Molecular Properties

Compound Name6-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethylhexanamide
PubChem CID168989675
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name6-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethylhexanamide
SMILESCCN(C(=O)CCCCCN)C(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C18H28N2O3/c1-3-20(18(21)7-5-4-6-10-19)14(2)11-15-8-9-16-17(12-15)23-13-22-16/h8-9,12,14H,3-7,10-11,13,19H2,1-2H3
InChIKeyVXFQLDDGBXSNMN-UHFFFAOYSA-N
XLogP2.71
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethylacetamide;butan-1-amine
CID 168989431
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-3-(dimethylamino)-N-ethylpropanamide
CID 168989439
6-[[1-(1,3-benzodioxol-5-yl)propan-2-yl-ethylcarbamoyl]oxymethoxy]-6-oxohexanoic acid
CID 168989348
2-methylpropyl N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethylcarbamate
CID 168989612
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyloxetane-3-carboxamide
CID 168989626
6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide
CID 42764530
2-(1,3-benzodioxol-5-yl)-N-ethyl-N-(4-hydroxybutan-2-yl)acetamide
CID 56759211
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-3-hydroxy-N-methylpropanamide
CID 166468308
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-propan-2-ylazetidine-3-carboxamide
CID 168989406
hydroxy N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethylcarbamoperoxoate;4-hydroxybutanoic acid;yttrium
CID 168989614
[1-(1,3-benzodioxol-5-yl)propan-2-yl-ethylcarbamoyl]oxymethyl (1,1-dioxothietan-3-yl) carbonate
CID 168989444
5-[1-(1,3-benzodioxol-5-yl)propan-2-yl-methylcarbamoyl]oxypentanoic acid
CID 166468658

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethylhexanamide?
The IUPAC name of 6-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethylhexanamide (CID 168989675) is 6-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethylhexanamide.
What is the SMILES notation for 6-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethylhexanamide?
The canonical SMILES for 6-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethylhexanamide is CCN(C(=O)CCCCCN)C(C)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 6-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethylhexanamide?
The InChIKey is VXFQLDDGBXSNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-20(18(21)7-5-4-6-10-19)14(2)11-15-8-9-16-17(12-15)23-13-22-16/h8-9,12,14H,3-7,10-11,13,19H2,1-2H3.
What are the key properties of 6-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethylhexanamide?
6-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethylhexanamide has a molecular weight of 320.43 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethylhexanamide is sourced from PubChem (CID 168989675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).