N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-5-yl)propanamide

C21H22N2O3 — CID 71840842

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-5-yl)propanamide
SMILESCCn1ccc2cc(CCC(=O)NCc3ccc4c(c3)OCO4)ccc21
InChIInChI=1S/C21H22N2O3/c1-2-23-10-9-17-11-15(3-6-18(17)23)5-8-21(24)22-13-16-4-7-19-20(12-16)26-14-25-19/h3-4,6-7,9-12H,2,5,8,13-14H2,1H3,(H,22,24)
InChIKeyFUIPKMUIIQPGBM-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.64
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-5-yl)propanamide

N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-5-yl)propanamide (PubChem CID 71840842) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-5-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-5-yl)propanamide
PubChem CID71840842
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-5-yl)propanamide
SMILESCCn1ccc2cc(CCC(=O)NCc3ccc4c(c3)OCO4)ccc21
InChIInChI=1S/C21H22N2O3/c1-2-23-10-9-17-11-15(3-6-18(17)23)5-8-21(24)22-13-16-4-7-19-20(12-16)26-14-25-19/h3-4,6-7,9-12H,2,5,8,13-14H2,1H3,(H,22,24)
InChIKeyFUIPKMUIIQPGBM-UHFFFAOYSA-N
XLogP3.64
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-3-(1-ethylindol-5-yl)propanamide
CID 71830169
3-(1,3-benzodioxol-5-yl)-N-butylpropanamide
CID 53278203
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 2640900
3-(1,3-benzodioxol-5-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide
CID 51277028
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 7284123
N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27658888
N-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide
CID 3238528
N-(1,3-benzodioxol-5-ylmethyl)-3-(propylamino)propanamide
CID 109011504
N-(1,3-benzodioxol-5-ylmethyl)-3-(dipropylamino)propanamide
CID 109022613
N-(1,3-benzodioxol-5-ylmethyl)-4-indol-1-yl-4-oxobutanamide
CID 84556439
3-(1,3-benzodioxol-5-yl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 53288815
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-sulfamoylphenyl)propanamide
CID 24539703

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-5-yl)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-5-yl)propanamide (CID 71840842) is N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-5-yl)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-5-yl)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-5-yl)propanamide is CCn1ccc2cc(CCC(=O)NCc3ccc4c(c3)OCO4)ccc21.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-5-yl)propanamide?
The InChIKey is FUIPKMUIIQPGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-2-23-10-9-17-11-15(3-6-18(17)23)5-8-21(24)22-13-16-4-7-19-20(12-16)26-14-25-19/h3-4,6-7,9-12H,2,5,8,13-14H2,1H3,(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-5-yl)propanamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-5-yl)propanamide has a molecular weight of 350.42 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-5-yl)propanamide is sourced from PubChem (CID 71840842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).