1,3-benzodioxole-5-carboxamide;2-morpholin-4-ylethanamine;3-morpholin-4-ylpropan-1-amine

C21H37N5O5 — CID 67561389

IUPAC1,3-benzodioxole-5-carboxamide;2-morpholin-4-ylethanamine;3-morpholin-4-ylpropan-1-amine
SMILESNC(=O)c1ccc2c(c1)OCO2.NCCCN1CCOCC1.NCCN1CCOCC1
InChIInChI=1S/C8H7NO3.C7H16N2O.C6H14N2O/c9-8(10)5-1-2-6-7(3-5)12-4-11-6;8-2-1-3-9-4-6-10-7-5-9;7-1-2-8-3-5-9-6-4-8/h1-3H,4H2,(H2,9,10);1-8H2;1-7H2
InChIKeyCSUUEHWGFDLQKT-UHFFFAOYSA-N
MW439.56 g/mol
LogP-0.54
Rot. Bonds6

About 1,3-benzodioxole-5-carboxamide;2-morpholin-4-ylethanamine;3-morpholin-4-ylpropan-1-amine

1,3-benzodioxole-5-carboxamide;2-morpholin-4-ylethanamine;3-morpholin-4-ylpropan-1-amine (PubChem CID 67561389) has the molecular formula C21H37N5O5 and a molecular weight of 439.56 g/mol. Its IUPAC name is 1,3-benzodioxole-5-carboxamide;2-morpholin-4-ylethanamine;3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1,3-benzodioxole-5-carboxamide;2-morpholin-4-ylethanamine;3-morpholin-4-ylpropan-1-amine
PubChem CID67561389
Molecular FormulaC21H37N5O5
Molecular Weight439.56 g/mol
Exact Mass439.28
IUPAC Name1,3-benzodioxole-5-carboxamide;2-morpholin-4-ylethanamine;3-morpholin-4-ylpropan-1-amine
SMILESNC(=O)c1ccc2c(c1)OCO2.NCCCN1CCOCC1.NCCN1CCOCC1
InChIInChI=1S/C8H7NO3.C7H16N2O.C6H14N2O/c9-8(10)5-1-2-6-7(3-5)12-4-11-6;8-2-1-3-9-4-6-10-7-5-9;7-1-2-8-3-5-9-6-4-8/h1-3H,4H2,(H2,9,10);1-8H2;1-7H2
InChIKeyCSUUEHWGFDLQKT-UHFFFAOYSA-N
XLogP-0.54
TPSA138.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1,3-benzodioxole-5-carboxamide;2-morpholin-4-ylethanamine;3-morpholin-4-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-morpholin-4-ylethoxy)-1,3-benzodioxole-5-carboxamide
CID 110642786
1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110422667
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylpropan-1-one
CID 731793
2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 659279
1,3-benzodioxole-5-carboxamide;benzoic acid
CID 175362662
1,3-benzodioxol-5-yl-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone
CID 110361578
N-[[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]amino]methyl]-3-morpholin-4-ylpropanamide
CID 168989916
1,3-benzodioxol-5-yl-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111788
acetamide;2-morpholin-4-ylethanamine
CID 158022700
N-(1,3-benzodioxol-5-ylmethyl)-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide
CID 42725267
4-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]morpholine
CID 170870679
N-methyl-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxol-5-amine
CID 121230567

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxole-5-carboxamide;2-morpholin-4-ylethanamine;3-morpholin-4-ylpropan-1-amine?
The IUPAC name of 1,3-benzodioxole-5-carboxamide;2-morpholin-4-ylethanamine;3-morpholin-4-ylpropan-1-amine (CID 67561389) is 1,3-benzodioxole-5-carboxamide;2-morpholin-4-ylethanamine;3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for 1,3-benzodioxole-5-carboxamide;2-morpholin-4-ylethanamine;3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for 1,3-benzodioxole-5-carboxamide;2-morpholin-4-ylethanamine;3-morpholin-4-ylpropan-1-amine is NC(=O)c1ccc2c(c1)OCO2.NCCCN1CCOCC1.NCCN1CCOCC1.
What is the InChIKey of 1,3-benzodioxole-5-carboxamide;2-morpholin-4-ylethanamine;3-morpholin-4-ylpropan-1-amine?
The InChIKey is CSUUEHWGFDLQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3.C7H16N2O.C6H14N2O/c9-8(10)5-1-2-6-7(3-5)12-4-11-6;8-2-1-3-9-4-6-10-7-5-9;7-1-2-8-3-5-9-6-4-8/h1-3H,4H2,(H2,9,10);1-8H2;1-7H2.
What are the key properties of 1,3-benzodioxole-5-carboxamide;2-morpholin-4-ylethanamine;3-morpholin-4-ylpropan-1-amine?
1,3-benzodioxole-5-carboxamide;2-morpholin-4-ylethanamine;3-morpholin-4-ylpropan-1-amine has a molecular weight of 439.56 g/mol, XLogP of -0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxole-5-carboxamide;2-morpholin-4-ylethanamine;3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 67561389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).