2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methoxypentanamide

C15H22N2O4 — CID 81086085

IUPAC2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C15H22N2O4/c1-19-7-2-4-12(16)15(18)17-11-5-6-13-14(10-11)21-9-3-8-20-13/h5-6,10,12H,2-4,7-9,16H2,1H3,(H,17,18)
InChIKeyHUZNNMXLSATINK-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.54
Rot. Bonds6

About 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methoxypentanamide

2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methoxypentanamide (PubChem CID 81086085) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methoxypentanamide
PubChem CID81086085
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C15H22N2O4/c1-19-7-2-4-12(16)15(18)17-11-5-6-13-14(10-11)21-9-3-8-20-13/h5-6,10,12H,2-4,7-9,16H2,1H3,(H,17,18)
InChIKeyHUZNNMXLSATINK-UHFFFAOYSA-N
XLogP1.54
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfonylbutanamide
CID 43101935
(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;hydrochloride
CID 119261511
methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate
CID 81071019
2-amino-5-methoxy-N-naphthalen-2-ylpentanamide
CID 81083067
4-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylbutanamide
CID 80541657
2-amino-N-[4-(dimethylamino)phenyl]-5-methoxypentanamide
CID 81082598
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxyethylamino)acetamide
CID 78908360
methyl 4-[(2-amino-5-methoxypentanoyl)amino]benzoate
CID 81089380
2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide
CID 81086454
methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-oxopropanoate
CID 115174105
2-amino-5-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide
CID 81082977
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxyethyl)guanidine;hydroiodide
CID 111022579

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methoxypentanamide?
The IUPAC name of 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methoxypentanamide (CID 81086085) is 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methoxypentanamide is COCCCC(N)C(=O)Nc1ccc2c(c1)OCCCO2.
What is the InChIKey of 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methoxypentanamide?
The InChIKey is HUZNNMXLSATINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-19-7-2-4-12(16)15(18)17-11-5-6-13-14(10-11)21-9-3-8-20-13/h5-6,10,12H,2-4,7-9,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methoxypentanamide?
2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methoxypentanamide has a molecular weight of 294.35 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methoxypentanamide is sourced from PubChem (CID 81086085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).