N-[2-(1,3-benzodioxol-5-yl)ethyl]morpholine-4-carboxamide

C14H18N2O4 — CID 34673472

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]morpholine-4-carboxamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)N1CCOCC1
InChIInChI=1S/C14H18N2O4/c17-14(16-5-7-18-8-6-16)15-4-3-11-1-2-12-13(9-11)20-10-19-12/h1-2,9H,3-8,10H2,(H,15,17)
InChIKeyYNKVXPYWPUCRNF-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.00
Rot. Bonds3

About N-[2-(1,3-benzodioxol-5-yl)ethyl]morpholine-4-carboxamide

N-[2-(1,3-benzodioxol-5-yl)ethyl]morpholine-4-carboxamide (PubChem CID 34673472) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]morpholine-4-carboxamide
PubChem CID34673472
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]morpholine-4-carboxamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)N1CCOCC1
InChIInChI=1S/C14H18N2O4/c17-14(16-5-7-18-8-6-16)15-4-3-11-1-2-12-13(9-11)20-10-19-12/h1-2,9H,3-8,10H2,(H,15,17)
InChIKeyYNKVXPYWPUCRNF-UHFFFAOYSA-N
XLogP1.00
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine-1-carboxamide
CID 113217356
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 87000385
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 128783827
4-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109221
4-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 94493911
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 87000376
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 113217434
4-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108917
4-(1,3-benzodioxole-5-carbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 23819713
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 39966777
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167361
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(ethylamino)acetamide
CID 115158021

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]morpholine-4-carboxamide (CID 34673472) is N-[2-(1,3-benzodioxol-5-yl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]morpholine-4-carboxamide is O=C(NCCc1ccc2c(c1)OCO2)N1CCOCC1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]morpholine-4-carboxamide?
The InChIKey is YNKVXPYWPUCRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-14(16-5-7-18-8-6-16)15-4-3-11-1-2-12-13(9-11)20-10-19-12/h1-2,9H,3-8,10H2,(H,15,17).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]morpholine-4-carboxamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]morpholine-4-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 34673472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).