5-methoxy-1-methyl-3-propan-2-yloxyindole-2-carboxamide

C14H18N2O3 — CID 10220880

IUPAC5-methoxy-1-methyl-3-propan-2-yloxyindole-2-carboxamide
SMILESCOc1ccc2c(c1)c(OC(C)C)c(C(N)=O)n2C
InChIInChI=1S/C14H18N2O3/c1-8(2)19-13-10-7-9(18-4)5-6-11(10)16(3)12(13)14(15)17/h5-8H,1-4H3,(H2,15,17)
InChIKeyROLQDOBEVNFAJW-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.07
Rot. Bonds4

About 5-methoxy-1-methyl-3-propan-2-yloxyindole-2-carboxamide

5-methoxy-1-methyl-3-propan-2-yloxyindole-2-carboxamide (PubChem CID 10220880) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-methoxy-1-methyl-3-propan-2-yloxyindole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-1-methyl-3-propan-2-yloxyindole-2-carboxamide
PubChem CID10220880
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name5-methoxy-1-methyl-3-propan-2-yloxyindole-2-carboxamide
SMILESCOc1ccc2c(c1)c(OC(C)C)c(C(N)=O)n2C
InChIInChI=1S/C14H18N2O3/c1-8(2)19-13-10-7-9(18-4)5-6-11(10)16(3)12(13)14(15)17/h5-8H,1-4H3,(H2,15,17)
InChIKeyROLQDOBEVNFAJW-UHFFFAOYSA-N
XLogP2.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-3-propan-2-yloxyindole-2-carboxamide?
The IUPAC name of 5-methoxy-1-methyl-3-propan-2-yloxyindole-2-carboxamide (CID 10220880) is 5-methoxy-1-methyl-3-propan-2-yloxyindole-2-carboxamide.
What is the SMILES notation for 5-methoxy-1-methyl-3-propan-2-yloxyindole-2-carboxamide?
The canonical SMILES for 5-methoxy-1-methyl-3-propan-2-yloxyindole-2-carboxamide is COc1ccc2c(c1)c(OC(C)C)c(C(N)=O)n2C.
What is the InChIKey of 5-methoxy-1-methyl-3-propan-2-yloxyindole-2-carboxamide?
The InChIKey is ROLQDOBEVNFAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-8(2)19-13-10-7-9(18-4)5-6-11(10)16(3)12(13)14(15)17/h5-8H,1-4H3,(H2,15,17).
What are the key properties of 5-methoxy-1-methyl-3-propan-2-yloxyindole-2-carboxamide?
5-methoxy-1-methyl-3-propan-2-yloxyindole-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-3-propan-2-yloxyindole-2-carboxamide is sourced from PubChem (CID 10220880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).