N-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-N-prop-2-enyl-1H-indole-2-carboxamide

C23H26N2O5 — CID 4976318

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-N-prop-2-enyl-1H-indole-2-carboxamide
SMILESC=CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc2cc(OC)c(OC)cc2[nH]1
InChIInChI=1S/C23H26N2O5/c1-6-9-25(14-15-7-8-19(27-2)20(10-15)28-3)23(26)18-11-16-12-21(29-4)22(30-5)13-17(16)24-18/h6-8,10-13,24H,1,9,14H2,2-5H3
InChIKeySAKDIGXRYYLCNO-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.03
Rot. Bonds9

About N-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-N-prop-2-enyl-1H-indole-2-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-N-prop-2-enyl-1H-indole-2-carboxamide (PubChem CID 4976318) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-N-prop-2-enyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-N-prop-2-enyl-1H-indole-2-carboxamide
PubChem CID4976318
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-N-prop-2-enyl-1H-indole-2-carboxamide
SMILESC=CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc2cc(OC)c(OC)cc2[nH]1
InChIInChI=1S/C23H26N2O5/c1-6-9-25(14-15-7-8-19(27-2)20(10-15)28-3)23(26)18-11-16-12-21(29-4)22(30-5)13-17(16)24-18/h6-8,10-13,24H,1,9,14H2,2-5H3
InChIKeySAKDIGXRYYLCNO-UHFFFAOYSA-N
XLogP4.03
TPSA73.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide
CID 720349
phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-prop-2-enylcarbamate
CID 3814252
6-methoxy-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
CID 134003031
N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide
CID 112819847
2-[(4-bromo-6-methyl-1H-indole-2-carbonyl)-[(3,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 166377755
3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide
CID 55918463
3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-N-prop-2-enylbenzamide
CID 55917567
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-oxo-N-(oxolan-2-ylmethyl)-2H-isoquinoline-3-carboxamide
CID 24678770
[(E)-4-[benzyl(1H-indole-2-carbonyl)amino]but-2-enyl] methyl carbonate
CID 132534514
2-(3,4-dimethoxyphenyl)-N-phenyl-N-prop-2-enylacetamide
CID 52564335
N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxamide
CID 113207316
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-methoxy-N-prop-2-enylbenzamide
CID 4032693

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-N-prop-2-enyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-N-prop-2-enyl-1H-indole-2-carboxamide (CID 4976318) is N-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-N-prop-2-enyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-N-prop-2-enyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-N-prop-2-enyl-1H-indole-2-carboxamide is C=CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc2cc(OC)c(OC)cc2[nH]1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-N-prop-2-enyl-1H-indole-2-carboxamide?
The InChIKey is SAKDIGXRYYLCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-6-9-25(14-15-7-8-19(27-2)20(10-15)28-3)23(26)18-11-16-12-21(29-4)22(30-5)13-17(16)24-18/h6-8,10-13,24H,1,9,14H2,2-5H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-N-prop-2-enyl-1H-indole-2-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-N-prop-2-enyl-1H-indole-2-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-N-prop-2-enyl-1H-indole-2-carboxamide is sourced from PubChem (CID 4976318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).