2-(1,3-benzodioxol-5-yl)-2-(ethylamino)propanamide

C12H16N2O3 — CID 60786055

IUPAC2-(1,3-benzodioxol-5-yl)-2-(ethylamino)propanamide
SMILESCCNC(C)(C(N)=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C12H16N2O3/c1-3-14-12(2,11(13)15)8-4-5-9-10(6-8)17-7-16-9/h4-6,14H,3,7H2,1-2H3,(H2,13,15)
InChIKeyNEGNBIXKHFILES-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.73
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yl)-2-(ethylamino)propanamide

2-(1,3-benzodioxol-5-yl)-2-(ethylamino)propanamide (PubChem CID 60786055) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-2-(ethylamino)propanamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-2-(ethylamino)propanamide
PubChem CID60786055
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(1,3-benzodioxol-5-yl)-2-(ethylamino)propanamide
SMILESCCNC(C)(C(N)=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C12H16N2O3/c1-3-14-12(2,11(13)15)8-4-5-9-10(6-8)17-7-16-9/h4-6,14H,3,7H2,1-2H3,(H2,13,15)
InChIKeyNEGNBIXKHFILES-UHFFFAOYSA-N
XLogP0.73
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)propanoate
CID 54918112
ethyl 2-(1,3-benzodioxol-5-yl)-2-(cyclopropylmethylamino)propanoate
CID 61002101
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)butanamide
CID 65233837
ethyl 2-(1,3-benzodioxol-5-yl)-2-(cyclopropylamino)propanoate
CID 60796809
4-amino-2-(1,3-benzodioxol-5-yl)butan-2-ol
CID 82395145
2-[2-(1,3-benzodioxol-5-yl)propan-2-ylsulfanyl]acetamide
CID 14514939
2-(1,3-benzodioxol-5-yl)-2-methyl-N-propylpropanamide
CID 113197678
2-(1,3-benzodioxol-5-yl)-2-(cyclopropylamino)propanoic acid
CID 43754410
(2S)-2-amino-2-(1,3-benzodioxol-5-yl)propan-1-ol
CID 93471595
2-(3,5-dihydroxyphenyl)-2-(ethylamino)propanamide
CID 107707485
2-(cyclopentylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 60998760
2-(1,3-benzodioxol-5-yl)propan-2-ol
CID 11819632

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-(ethylamino)propanamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-(ethylamino)propanamide (CID 60786055) is 2-(1,3-benzodioxol-5-yl)-2-(ethylamino)propanamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-2-(ethylamino)propanamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-2-(ethylamino)propanamide is CCNC(C)(C(N)=O)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-2-(ethylamino)propanamide?
The InChIKey is NEGNBIXKHFILES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-14-12(2,11(13)15)8-4-5-9-10(6-8)17-7-16-9/h4-6,14H,3,7H2,1-2H3,(H2,13,15).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-2-(ethylamino)propanamide?
2-(1,3-benzodioxol-5-yl)-2-(ethylamino)propanamide has a molecular weight of 236.27 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-2-(ethylamino)propanamide is sourced from PubChem (CID 60786055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).