2-(1-aminocyclopentyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide

C16H22N2O3 — CID 64679625

IUPAC2-(1-aminocyclopentyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
SMILESNC1(CC(=O)NCC2COc3ccccc3O2)CCCC1
InChIInChI=1S/C16H22N2O3/c17-16(7-3-4-8-16)9-15(19)18-10-12-11-20-13-5-1-2-6-14(13)21-12/h1-2,5-6,12H,3-4,7-11,17H2,(H,18,19)
InChIKeyGKDIHDMRUBKVTK-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.60
Rot. Bonds4

About 2-(1-aminocyclopentyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide

2-(1-aminocyclopentyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide (PubChem CID 64679625) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
PubChem CID64679625
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(1-aminocyclopentyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
SMILESNC1(CC(=O)NCC2COc3ccccc3O2)CCCC1
InChIInChI=1S/C16H22N2O3/c17-16(7-3-4-8-16)9-15(19)18-10-12-11-20-13-5-1-2-6-14(13)21-12/h1-2,5-6,12H,3-4,7-11,17H2,(H,18,19)
InChIKeyGKDIHDMRUBKVTK-UHFFFAOYSA-N
XLogP1.60
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminocyclopentyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide
CID 64676743
3-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propanamide;hydrochloride
CID 119266203
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 1251106
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-piperidin-1-ium-1-ylacetamide
CID 4051778
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-phenylcyclopentane-1-carboxamide
CID 790018
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(propan-2-ylamino)propanamide
CID 61248970
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(methylamino)acetamide
CID 60686684
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 60683085
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-nitroacetamide
CID 108814523
5-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpentanamide
CID 82012034
2-[(5S,7R)-3-bromo-1-adamantyl]-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 7758631

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide?
The IUPAC name of 2-(1-aminocyclopentyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide (CID 64679625) is 2-(1-aminocyclopentyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclopentyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(1-aminocyclopentyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide is NC1(CC(=O)NCC2COc3ccccc3O2)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide?
The InChIKey is GKDIHDMRUBKVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-16(7-3-4-8-16)9-15(19)18-10-12-11-20-13-5-1-2-6-14(13)21-12/h1-2,5-6,12H,3-4,7-11,17H2,(H,18,19).
What are the key properties of 2-(1-aminocyclopentyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide?
2-(1-aminocyclopentyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide has a molecular weight of 290.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide is sourced from PubChem (CID 64679625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).