N-(1-aminopentan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C14H20N2O3 — CID 65190921

IUPACN-(1-aminopentan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCCCC(CN)NC(=O)C1COc2ccccc2O1
InChIInChI=1S/C14H20N2O3/c1-2-5-10(8-15)16-14(17)13-9-18-11-6-3-4-7-12(11)19-13/h3-4,6-7,10,13H,2,5,8-9,15H2,1H3,(H,16,17)
InChIKeyUNKHJOMUHRBXFU-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.07
Rot. Bonds5

About N-(1-aminopentan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(1-aminopentan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 65190921) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID65190921
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(1-aminopentan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCCCC(CN)NC(=O)C1COc2ccccc2O1
InChIInChI=1S/C14H20N2O3/c1-2-5-10(8-15)16-14(17)13-9-18-11-6-3-4-7-12(11)19-13/h3-4,6-7,10,13H,2,5,8-9,15H2,1H3,(H,16,17)
InChIKeyUNKHJOMUHRBXFU-UHFFFAOYSA-N
XLogP1.07
TPSA73.58 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 ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(2S)-pentan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 956466
N-(4-aminobutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 62092392
N-(1-cyanobutyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 61119697
(3S)-N-[(2S)-4-hydroxybutan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 97019657
N-(2-amino-1-cyclopropylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
CID 119616056
N-(4-bromobutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 83178665
N-(4-chlorobutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 83180654
N-(1-aminohexan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 80697516
N-but-3-yn-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 114390057
N-(1-bromo-3-methylbutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 114316233
(3S)-N-(dicyclopropylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 30544549
N-(dicyclopropylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42940632

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(1-aminopentan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 65190921) is N-(1-aminopentan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CCCC(CN)NC(=O)C1COc2ccccc2O1.
What is the InChIKey of N-(1-aminopentan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is UNKHJOMUHRBXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-5-10(8-15)16-14(17)13-9-18-11-6-3-4-7-12(11)19-13/h3-4,6-7,10,13H,2,5,8-9,15H2,1H3,(H,16,17).
What are the key properties of N-(1-aminopentan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(1-aminopentan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 65190921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).