6-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]hexanamide

C15H22N2O3 — CID 43704415

IUPAC6-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]hexanamide
SMILESCC(NC(=O)CCCCCN)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H22N2O3/c1-11(17-15(18)5-3-2-4-8-16)12-6-7-13-14(9-12)20-10-19-13/h6-7,9,11H,2-5,8,10,16H2,1H3,(H,17,18)
InChIKeyDEIFAPNIOPNPJP-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.11
Rot. Bonds7

About 6-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]hexanamide

6-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]hexanamide (PubChem CID 43704415) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 6-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]hexanamide
PubChem CID43704415
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name6-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]hexanamide
SMILESCC(NC(=O)CCCCCN)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H22N2O3/c1-11(17-15(18)5-3-2-4-8-16)12-6-7-13-14(9-12)20-10-19-13/h6-7,9,11H,2-5,8,10,16H2,1H3,(H,17,18)
InChIKeyDEIFAPNIOPNPJP-UHFFFAOYSA-N
XLogP2.11
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-5-oxopentanoic acid
CID 39853266
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60853625
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chloroacetamide
CID 3554698
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-methoxyacetamide
CID 35079410
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-4-(4-chlorophenyl)-4-oxobutanamide
CID 35079496
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(cyclopropylamino)propanamide
CID 60868181
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 35079456
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 51323992
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(4-chlorophenyl)sulfonylpropanamide
CID 42896436
6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide
CID 81359837

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]hexanamide?
The IUPAC name of 6-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]hexanamide (CID 43704415) is 6-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]hexanamide.
What is the SMILES notation for 6-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]hexanamide?
The canonical SMILES for 6-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]hexanamide is CC(NC(=O)CCCCCN)c1ccc2c(c1)OCO2.
What is the InChIKey of 6-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]hexanamide?
The InChIKey is DEIFAPNIOPNPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(17-15(18)5-3-2-4-8-16)12-6-7-13-14(9-12)20-10-19-13/h6-7,9,11H,2-5,8,10,16H2,1H3,(H,17,18).
What are the key properties of 6-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]hexanamide?
6-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]hexanamide has a molecular weight of 278.35 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 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)ethyl]hexanamide is sourced from PubChem (CID 43704415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).