N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide

C19H22N2O4 — CID 91640664

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide
SMILESO=C(CC1(n2cccc2)CCOCC1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H22N2O4/c22-18(20-13-15-3-4-16-17(11-15)25-14-24-16)12-19(5-9-23-10-6-19)21-7-1-2-8-21/h1-4,7-8,11H,5-6,9-10,12-14H2,(H,20,22)
InChIKeyFQUUKSKWVRZAOS-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.43
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide (PubChem CID 91640664) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide
PubChem CID91640664
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide
SMILESO=C(CC1(n2cccc2)CCOCC1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H22N2O4/c22-18(20-13-15-3-4-16-17(11-15)25-14-24-16)12-19(5-9-23-10-6-19)21-7-1-2-8-21/h1-4,7-8,11H,5-6,9-10,12-14H2,(H,20,22)
InChIKeyFQUUKSKWVRZAOS-UHFFFAOYSA-N
XLogP2.43
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide
CID 3238528
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
1-N'-(1,3-benzodioxol-5-ylmethyl)-1-N-benzylcyclopropane-1,1-dicarboxamide
CID 108974741
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetamide
CID 131963803
1-amino-3-(1,3-benzodioxol-5-ylmethyl)urea
CID 62905779
2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 81172247
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 7284123
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-formylpyrrol-1-yl)acetamide
CID 71821970
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-3-pyrazol-1-ylbutanamide
CID 92708005
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-pyrazol-1-ylbutanamide
CID 92708006
N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide
CID 2810954
N-(1,3-benzodioxol-5-ylmethyl)-3,3-dimethylbutanamide
CID 670795

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide (CID 91640664) is N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide is O=C(CC1(n2cccc2)CCOCC1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
The InChIKey is FQUUKSKWVRZAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-18(20-13-15-3-4-16-17(11-15)25-14-24-16)12-19(5-9-23-10-6-19)21-7-1-2-8-21/h1-4,7-8,11H,5-6,9-10,12-14H2,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide is sourced from PubChem (CID 91640664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).