5-[amino(phenyl)methyl]-1-ethyl-3,3-dimethylindol-2-one

C19H22N2O — CID 82172377

IUPAC5-[amino(phenyl)methyl]-1-ethyl-3,3-dimethylindol-2-one
SMILESCCN1C(=O)C(C)(C)c2cc(C(N)c3ccccc3)ccc21
InChIInChI=1S/C19H22N2O/c1-4-21-16-11-10-14(12-15(16)19(2,3)18(21)22)17(20)13-8-6-5-7-9-13/h5-12,17H,4,20H2,1-3H3
InChIKeySMZPWUCQJWYIAL-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.38
Rot. Bonds3

About 5-[amino(phenyl)methyl]-1-ethyl-3,3-dimethylindol-2-one

5-[amino(phenyl)methyl]-1-ethyl-3,3-dimethylindol-2-one (PubChem CID 82172377) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-[amino(phenyl)methyl]-1-ethyl-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name5-[amino(phenyl)methyl]-1-ethyl-3,3-dimethylindol-2-one
PubChem CID82172377
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name5-[amino(phenyl)methyl]-1-ethyl-3,3-dimethylindol-2-one
SMILESCCN1C(=O)C(C)(C)c2cc(C(N)c3ccccc3)ccc21
InChIInChI=1S/C19H22N2O/c1-4-21-16-11-10-14(12-15(16)19(2,3)18(21)22)17(20)13-8-6-5-7-9-13/h5-12,17H,4,20H2,1-3H3
InChIKeySMZPWUCQJWYIAL-UHFFFAOYSA-N
XLogP3.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[amino(phenyl)methyl]-1-ethyl-3,3-dimethylindol-2-one?
The IUPAC name of 5-[amino(phenyl)methyl]-1-ethyl-3,3-dimethylindol-2-one (CID 82172377) is 5-[amino(phenyl)methyl]-1-ethyl-3,3-dimethylindol-2-one.
What is the SMILES notation for 5-[amino(phenyl)methyl]-1-ethyl-3,3-dimethylindol-2-one?
The canonical SMILES for 5-[amino(phenyl)methyl]-1-ethyl-3,3-dimethylindol-2-one is CCN1C(=O)C(C)(C)c2cc(C(N)c3ccccc3)ccc21.
What is the InChIKey of 5-[amino(phenyl)methyl]-1-ethyl-3,3-dimethylindol-2-one?
The InChIKey is SMZPWUCQJWYIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-4-21-16-11-10-14(12-15(16)19(2,3)18(21)22)17(20)13-8-6-5-7-9-13/h5-12,17H,4,20H2,1-3H3.
What are the key properties of 5-[amino(phenyl)methyl]-1-ethyl-3,3-dimethylindol-2-one?
5-[amino(phenyl)methyl]-1-ethyl-3,3-dimethylindol-2-one has a molecular weight of 294.40 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(phenyl)methyl]-1-ethyl-3,3-dimethylindol-2-one is sourced from PubChem (CID 82172377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).