3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2,2-dimethylpropanamide

C14H20N2O3 — CID 99821538

IUPAC3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2,2-dimethylpropanamide
SMILESC[C@@H](NCC(C)(C)C(N)=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O3/c1-9(16-7-14(2,3)13(15)17)10-4-5-11-12(6-10)19-8-18-11/h4-6,9,16H,7-8H2,1-3H3,(H2,15,17)/t9-/m1/s1
InChIKeyMCGFTHIDUYTZGN-SECBINFHSA-N
MW264.33 g/mol
LogP1.58
Rot. Bonds5

About 3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2,2-dimethylpropanamide

3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2,2-dimethylpropanamide (PubChem CID 99821538) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2,2-dimethylpropanamide
PubChem CID99821538
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2,2-dimethylpropanamide
SMILESC[C@@H](NCC(C)(C)C(N)=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O3/c1-9(16-7-14(2,3)13(15)17)10-4-5-11-12(6-10)19-8-18-11/h4-6,9,16H,7-8H2,1-3H3,(H2,15,17)/t9-/m1/s1
InChIKeyMCGFTHIDUYTZGN-SECBINFHSA-N
XLogP1.58
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 35071968
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide
CID 43567784
2,2-dimethyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanamide
CID 103917195
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethylacetamide
CID 43310888
2-[1-(1,3-benzodioxol-5-yl)ethylamino]propanamide
CID 43403044
2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol
CID 29083160
1-[1-(1,3-benzodioxol-5-yl)ethylamino]propan-2-ol
CID 43499381
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-ethyl-2-methylsulfanylbutan-1-amine
CID 103787219
3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81411928
(2S)-2-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119699866
(2R)-2-amino-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]propanamide
CID 93043833
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-methylbutan-2-ol
CID 65108517

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2,2-dimethylpropanamide (CID 99821538) is 3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2,2-dimethylpropanamide is C[C@@H](NCC(C)(C)C(N)=O)c1ccc2c(c1)OCO2.
What is the InChIKey of 3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2,2-dimethylpropanamide?
The InChIKey is MCGFTHIDUYTZGN-SECBINFHSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(16-7-14(2,3)13(15)17)10-4-5-11-12(6-10)19-8-18-11/h4-6,9,16H,7-8H2,1-3H3,(H2,15,17)/t9-/m1/s1.
What are the key properties of 3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2,2-dimethylpropanamide?
3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2,2-dimethylpropanamide has a molecular weight of 264.33 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 99821538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).