N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)propanamide

C16H24N2O3 — CID 115595938

IUPACN-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)propanamide
SMILESCC(NCc1cccc2c1OCCO2)C(=O)NC(C)(C)C
InChIInChI=1S/C16H24N2O3/c1-11(15(19)18-16(2,3)4)17-10-12-6-5-7-13-14(12)21-9-8-20-13/h5-7,11,17H,8-10H2,1-4H3,(H,18,19)
InChIKeyDNFNWNDDGUZKAR-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.85
Rot. Bonds4

About N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)propanamide

N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)propanamide (PubChem CID 115595938) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)propanamide
PubChem CID115595938
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)propanamide
SMILESCC(NCc1cccc2c1OCCO2)C(=O)NC(C)(C)C
InChIInChI=1S/C16H24N2O3/c1-11(15(19)18-16(2,3)4)17-10-12-6-5-7-13-14(12)21-9-8-20-13/h5-7,11,17H,8-10H2,1-4H3,(H,18,19)
InChIKeyDNFNWNDDGUZKAR-UHFFFAOYSA-N
XLogP1.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)propanoate
CID 43723549
(2S)-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)propan-1-ol
CID 93187642
3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)butanamide
CID 115677046
methyl 2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-3-methylbutanoate
CID 43583941
(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-N-(furan-2-ylmethyl)propanamide
CID 124556782
(1R)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 81348346
(1S)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 81347629
(2S)-2-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)propane-1,2-diamine
CID 104867725
N-tert-butyl-2-(naphthalen-1-ylmethylamino)propanamide
CID 62050441
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-ethylpentan-2-amine
CID 63843116
N-[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)ethyl]-2-methylpropanamide
CID 43583637
5-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-4,4-dimethylpentan-2-ol
CID 111467932

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)propanamide?
The IUPAC name of N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)propanamide (CID 115595938) is N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)propanamide.
What is the SMILES notation for N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)propanamide?
The canonical SMILES for N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)propanamide is CC(NCc1cccc2c1OCCO2)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)propanamide?
The InChIKey is DNFNWNDDGUZKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(15(19)18-16(2,3)4)17-10-12-6-5-7-13-14(12)21-9-8-20-13/h5-7,11,17H,8-10H2,1-4H3,(H,18,19).
What are the key properties of N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)propanamide?
N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)propanamide has a molecular weight of 292.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)propanamide is sourced from PubChem (CID 115595938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).