(2R)-N-(1,3-benzodioxol-5-yl)-2-(4-ethylanilino)propanamide

C18H20N2O3 — CID 7509615

IUPAC(2R)-N-(1,3-benzodioxol-5-yl)-2-(4-ethylanilino)propanamide
SMILESCCc1ccc(N[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C18H20N2O3/c1-3-13-4-6-14(7-5-13)19-12(2)18(21)20-15-8-9-16-17(10-15)23-11-22-16/h4-10,12,19H,3,11H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyXDJPYNLNXOPPEH-GFCCVEGCSA-N
MW312.37 g/mol
LogP3.42
Rot. Bonds5

About (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-ethylanilino)propanamide

(2R)-N-(1,3-benzodioxol-5-yl)-2-(4-ethylanilino)propanamide (PubChem CID 7509615) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-ethylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(1,3-benzodioxol-5-yl)-2-(4-ethylanilino)propanamide
PubChem CID7509615
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(2R)-N-(1,3-benzodioxol-5-yl)-2-(4-ethylanilino)propanamide
SMILESCCc1ccc(N[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C18H20N2O3/c1-3-13-4-6-14(7-5-13)19-12(2)18(21)20-15-8-9-16-17(10-15)23-11-22-16/h4-10,12,19H,3,11H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyXDJPYNLNXOPPEH-GFCCVEGCSA-N
XLogP3.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-(4-ethylphenyl)urea
CID 6466543
N-(1,3-benzodioxol-5-yl)-2-[4-[2-(ethylamino)-2-oxoethoxy]anilino]propanamide
CID 55598497
(2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide
CID 94681442
N-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyanilino)propanamide
CID 51167835
N'-(1,3-benzodioxol-5-yl)-N-[(4-ethylphenyl)methyl]oxamide
CID 2290813
(2S)-2-amino-N-(1,3-benzodioxol-5-yl)propanamide
CID 22690584
N-(1,3-benzodioxol-5-yl)-2-(3-ethylphenoxy)propanamide
CID 53266903
N-(1,3-benzodioxol-5-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 51248672
(2S)-2-amino-N-(1,3-benzodioxol-5-yl)butanamide
CID 79025249
(2S)-N-(1,3-benzodioxol-5-yl)-2-(4-propylpyridin-1-ium-1-yl)propanamide
CID 8877474
(2S)-N-(1,3-benzodioxol-5-yl)-2-(2-ethoxy-4-fluoroanilino)propanamide
CID 94599199
2-(4-acetylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 42917950

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-ethylanilino)propanamide?
The IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-ethylanilino)propanamide (CID 7509615) is (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-ethylanilino)propanamide.
What is the SMILES notation for (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-ethylanilino)propanamide?
The canonical SMILES for (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-ethylanilino)propanamide is CCc1ccc(N[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-ethylanilino)propanamide?
The InChIKey is XDJPYNLNXOPPEH-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-13-4-6-14(7-5-13)19-12(2)18(21)20-15-8-9-16-17(10-15)23-11-22-16/h4-10,12,19H,3,11H2,1-2H3,(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-ethylanilino)propanamide?
(2R)-N-(1,3-benzodioxol-5-yl)-2-(4-ethylanilino)propanamide has a molecular weight of 312.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-ethylanilino)propanamide is sourced from PubChem (CID 7509615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).