N-[1-(1,3-benzodioxol-5-yl)ethyl]-5,7-dimethoxy-1H-indole-2-carboxamide

C20H20N2O5 — CID 42942018

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-5,7-dimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2[nH]c(C(=O)NC(C)c3ccc4c(c3)OCO4)cc2c1
InChIInChI=1S/C20H20N2O5/c1-11(12-4-5-16-17(8-12)27-10-26-16)21-20(23)15-7-13-6-14(24-2)9-18(25-3)19(13)22-15/h4-9,11,22H,10H2,1-3H3,(H,21,23)
InChIKeyCBKSMCXIOALSMI-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.40
Rot. Bonds5

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-5,7-dimethoxy-1H-indole-2-carboxamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-5,7-dimethoxy-1H-indole-2-carboxamide (PubChem CID 42942018) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-5,7-dimethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-5,7-dimethoxy-1H-indole-2-carboxamide
PubChem CID42942018
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-5,7-dimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2[nH]c(C(=O)NC(C)c3ccc4c(c3)OCO4)cc2c1
InChIInChI=1S/C20H20N2O5/c1-11(12-4-5-16-17(8-12)27-10-26-16)21-20(23)15-7-13-6-14(24-2)9-18(25-3)19(13)22-15/h4-9,11,22H,10H2,1-3H3,(H,21,23)
InChIKeyCBKSMCXIOALSMI-UHFFFAOYSA-N
XLogP3.40
TPSA81.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 47020850
[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 46543148
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 91189294
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 94048936
N-[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide
CID 45370022
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4,5-dimethoxybenzamide
CID 51323720
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-chloro-1H-pyrrole-2-carboxamide
CID 18143595
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 55750628
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 112831404
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-methoxyacetamide
CID 35079410
1-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 26865685
1-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(2,5-dimethoxyphenyl)thiourea
CID 40655610

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-5,7-dimethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-5,7-dimethoxy-1H-indole-2-carboxamide (CID 42942018) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-5,7-dimethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-5,7-dimethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-5,7-dimethoxy-1H-indole-2-carboxamide is COc1cc(OC)c2[nH]c(C(=O)NC(C)c3ccc4c(c3)OCO4)cc2c1.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-5,7-dimethoxy-1H-indole-2-carboxamide?
The InChIKey is CBKSMCXIOALSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-11(12-4-5-16-17(8-12)27-10-26-16)21-20(23)15-7-13-6-14(24-2)9-18(25-3)19(13)22-15/h4-9,11,22H,10H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-5,7-dimethoxy-1H-indole-2-carboxamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-5,7-dimethoxy-1H-indole-2-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-5,7-dimethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 42942018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).