N-[(2R)-2-(ethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C14H20N2O3 — CID 120651895

IUPACN-[(2R)-2-(ethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H20N2O3/c1-3-15-10(2)9-16-14(17)11-4-5-12-13(8-11)19-7-6-18-12/h4-5,8,10,15H,3,6-7,9H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyJBOYNKDXAQIXLG-SNVBAGLBSA-N
MW264.32 g/mol
LogP1.19
Rot. Bonds5

About N-[(2R)-2-(ethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-[(2R)-2-(ethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 120651895) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID120651895
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H20N2O3/c1-3-15-10(2)9-16-14(17)11-4-5-12-13(8-11)19-7-6-18-12/h4-5,8,10,15H,3,6-7,9H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyJBOYNKDXAQIXLG-SNVBAGLBSA-N
XLogP1.19
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-1,3-benzodioxole-5-carboxamide
CID 120651877
N-(3-bromo-2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 114313445
5-bromo-N-[(2R)-2-(ethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride
CID 120651714
N-[(2R)-2-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 120655100
N-[2-(2-aminoethyl)pentyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 106116188
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120655289
N-(3-aminobutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 63254083
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 39466436
N-(3,3-dimethylbutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 34713416
N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103512682
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043993
N-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 65110138

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 120651895) is N-[(2R)-2-(ethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is CCN[C@H](C)CNC(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is JBOYNKDXAQIXLG-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-15-10(2)9-16-14(17)11-4-5-12-13(8-11)19-7-6-18-12/h4-5,8,10,15H,3,6-7,9H2,1-2H3,(H,16,17)/t10-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-[(2R)-2-(ethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 120651895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).