2,3-dimethyl-4-[2-methyl-3-[methyl(prop-2-enoyl)amino]phenyl]-1H-indole-7-carboxamide

C22H23N3O2 — CID 121293911

IUPAC2,3-dimethyl-4-[2-methyl-3-[methyl(prop-2-enoyl)amino]phenyl]-1H-indole-7-carboxamide
SMILESC=CC(=O)N(C)c1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1C
InChIInChI=1S/C22H23N3O2/c1-6-19(26)25(5)18-9-7-8-15(13(18)3)16-10-11-17(22(23)27)21-20(16)12(2)14(4)24-21/h6-11,24H,1H2,2-5H3,(H2,23,27)
InChIKeyFLXWWWSUNKRTEX-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.01
Rot. Bonds4

About 2,3-dimethyl-4-[2-methyl-3-[methyl(prop-2-enoyl)amino]phenyl]-1H-indole-7-carboxamide

2,3-dimethyl-4-[2-methyl-3-[methyl(prop-2-enoyl)amino]phenyl]-1H-indole-7-carboxamide (PubChem CID 121293911) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2,3-dimethyl-4-[2-methyl-3-[methyl(prop-2-enoyl)amino]phenyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-4-[2-methyl-3-[methyl(prop-2-enoyl)amino]phenyl]-1H-indole-7-carboxamide
PubChem CID121293911
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2,3-dimethyl-4-[2-methyl-3-[methyl(prop-2-enoyl)amino]phenyl]-1H-indole-7-carboxamide
SMILESC=CC(=O)N(C)c1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1C
InChIInChI=1S/C22H23N3O2/c1-6-19(26)25(5)18-9-7-8-15(13(18)3)16-10-11-17(22(23)27)21-20(16)12(2)14(4)24-21/h6-11,24H,1H2,2-5H3,(H2,23,27)
InChIKeyFLXWWWSUNKRTEX-UHFFFAOYSA-N
XLogP4.01
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[2-methyl-3-[methyl(prop-2-enoyl)amino]phenyl]-1H-indole-7-carboxamide?
The IUPAC name of 2,3-dimethyl-4-[2-methyl-3-[methyl(prop-2-enoyl)amino]phenyl]-1H-indole-7-carboxamide (CID 121293911) is 2,3-dimethyl-4-[2-methyl-3-[methyl(prop-2-enoyl)amino]phenyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 2,3-dimethyl-4-[2-methyl-3-[methyl(prop-2-enoyl)amino]phenyl]-1H-indole-7-carboxamide?
The canonical SMILES for 2,3-dimethyl-4-[2-methyl-3-[methyl(prop-2-enoyl)amino]phenyl]-1H-indole-7-carboxamide is C=CC(=O)N(C)c1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1C.
What is the InChIKey of 2,3-dimethyl-4-[2-methyl-3-[methyl(prop-2-enoyl)amino]phenyl]-1H-indole-7-carboxamide?
The InChIKey is FLXWWWSUNKRTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-6-19(26)25(5)18-9-7-8-15(13(18)3)16-10-11-17(22(23)27)21-20(16)12(2)14(4)24-21/h6-11,24H,1H2,2-5H3,(H2,23,27).
What are the key properties of 2,3-dimethyl-4-[2-methyl-3-[methyl(prop-2-enoyl)amino]phenyl]-1H-indole-7-carboxamide?
2,3-dimethyl-4-[2-methyl-3-[methyl(prop-2-enoyl)amino]phenyl]-1H-indole-7-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[2-methyl-3-[methyl(prop-2-enoyl)amino]phenyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 121293911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).