4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxane-4-carboxamide

C14H18N2O4 — CID 115294563

IUPAC4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxane-4-carboxamide
SMILESNC1(C(=O)NCc2cccc3c2OCO3)CCOCC1
InChIInChI=1S/C14H18N2O4/c15-14(4-6-18-7-5-14)13(17)16-8-10-2-1-3-11-12(10)20-9-19-11/h1-3H,4-9,15H2,(H,16,17)
InChIKeyRAVLXGYNVSTHOT-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.54
Rot. Bonds3

About 4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxane-4-carboxamide

4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxane-4-carboxamide (PubChem CID 115294563) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxane-4-carboxamide
PubChem CID115294563
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxane-4-carboxamide
SMILESNC1(C(=O)NCc2cccc3c2OCO3)CCOCC1
InChIInChI=1S/C14H18N2O4/c15-14(4-6-18-7-5-14)13(17)16-8-10-2-1-3-11-12(10)20-9-19-11/h1-3H,4-9,15H2,(H,16,17)
InChIKeyRAVLXGYNVSTHOT-UHFFFAOYSA-N
XLogP0.54
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-(1,3-benzodioxol-4-ylmethyl)cyclopentane-1-carboxamide
CID 61212288
2-(1-aminocyclohexyl)-N-(1,3-benzodioxol-4-ylmethyl)acetamide
CID 64678994
1-(1,3-benzodioxol-4-ylmethyl)-3-(1,8-dioxaspiro[4.5]decan-4-yl)urea
CID 136568777
2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride
CID 119298911
4-(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)oxane-4-carboxamide
CID 56579623
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)propanamide
CID 61211159
N-(1,3-benzodioxol-4-ylmethyl)-2,2-dimethylpropanamide
CID 61149994
4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxolane-3-carboxamide
CID 66238076
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)-4-methylpentanamide
CID 61211349
(2R)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)pentanamide
CID 103795712
2-hydroxyethyl N-(1,3-benzodioxol-4-ylmethyl)carbamate
CID 79348889
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)butanamide
CID 79023389

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxane-4-carboxamide (CID 115294563) is 4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxane-4-carboxamide is NC1(C(=O)NCc2cccc3c2OCO3)CCOCC1.
What is the InChIKey of 4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxane-4-carboxamide?
The InChIKey is RAVLXGYNVSTHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c15-14(4-6-18-7-5-14)13(17)16-8-10-2-1-3-11-12(10)20-9-19-11/h1-3H,4-9,15H2,(H,16,17).
What are the key properties of 4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxane-4-carboxamide?
4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxane-4-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 115294563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).