2-[[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]amino]benzamide

C18H19N3O4 — CID 32907148

IUPAC2-[[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]amino]benzamide
SMILESC[C@H](NC(=O)CNc1ccccc1C(N)=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H19N3O4/c1-11(12-6-7-15-16(8-12)25-10-24-15)21-17(22)9-20-14-5-3-2-4-13(14)18(19)23/h2-8,11,20H,9-10H2,1H3,(H2,19,23)(H,21,22)/t11-/m0/s1
InChIKeyKNLXDHFXFKMXFQ-NSHDSACASA-N
MW341.37 g/mol
LogP1.80
Rot. Bonds6

About 2-[[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]amino]benzamide

2-[[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]amino]benzamide (PubChem CID 32907148) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]amino]benzamide
PubChem CID32907148
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-[[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]amino]benzamide
SMILESC[C@H](NC(=O)CNc1ccccc1C(N)=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H19N3O4/c1-11(12-6-7-15-16(8-12)25-10-24-15)21-17(22)9-20-14-5-3-2-4-13(14)18(19)23/h2-8,11,20H,9-10H2,1H3,(H2,19,23)(H,21,22)/t11-/m0/s1
InChIKeyKNLXDHFXFKMXFQ-NSHDSACASA-N
XLogP1.80
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]amino]benzamide with MolForge

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Related Compounds

[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 2-chlorobenzoate
CID 7775944
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chloroacetamide
CID 3554698
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide
CID 43567784
[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7725533
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-methoxyacetamide
CID 35079410
[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 2-phenylbenzoate
CID 7554668
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide
CID 60648461
(2R)-2-amino-N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-3-hydroxypropanamide
CID 129077537
N-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51323962
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78908462
6-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]hexanamide
CID 43704415
(2R)-2-amino-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]propanamide
CID 93043833

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]amino]benzamide?
The IUPAC name of 2-[[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]amino]benzamide (CID 32907148) is 2-[[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for 2-[[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]amino]benzamide is C[C@H](NC(=O)CNc1ccccc1C(N)=O)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-[[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]amino]benzamide?
The InChIKey is KNLXDHFXFKMXFQ-NSHDSACASA-N. The full InChI is InChI=1S/C18H19N3O4/c1-11(12-6-7-15-16(8-12)25-10-24-15)21-17(22)9-20-14-5-3-2-4-13(14)18(19)23/h2-8,11,20H,9-10H2,1H3,(H2,19,23)(H,21,22)/t11-/m0/s1.
What are the key properties of 2-[[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]amino]benzamide?
2-[[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]amino]benzamide has a molecular weight of 341.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 32907148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).