1-(2-aminoethyl)-N-cyclohexyl-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide

C22H33N3O2 — CID 58376503

IUPAC1-(2-aminoethyl)-N-cyclohexyl-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide
SMILESCC(C)N(C(=O)c1ccc2c(c1)N(CCN)C(=O)C2(C)C)C1CCCCC1
InChIInChI=1S/C22H33N3O2/c1-15(2)25(17-8-6-5-7-9-17)20(26)16-10-11-18-19(14-16)24(13-12-23)21(27)22(18,3)4/h10-11,14-15,17H,5-9,12-13,23H2,1-4H3
InChIKeyDGQNZAGUFWCMQW-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.45
Rot. Bonds5

About 1-(2-aminoethyl)-N-cyclohexyl-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide

1-(2-aminoethyl)-N-cyclohexyl-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide (PubChem CID 58376503) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-cyclohexyl-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-cyclohexyl-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide
PubChem CID58376503
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name1-(2-aminoethyl)-N-cyclohexyl-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide
SMILESCC(C)N(C(=O)c1ccc2c(c1)N(CCN)C(=O)C2(C)C)C1CCCCC1
InChIInChI=1S/C22H33N3O2/c1-15(2)25(17-8-6-5-7-9-17)20(26)16-10-11-18-19(14-16)24(13-12-23)21(27)22(18,3)4/h10-11,14-15,17H,5-9,12-13,23H2,1-4H3
InChIKeyDGQNZAGUFWCMQW-UHFFFAOYSA-N
XLogP3.45
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-cyclohexyl-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-cyclohexyl-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide (CID 58376503) is 1-(2-aminoethyl)-N-cyclohexyl-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-cyclohexyl-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-cyclohexyl-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide is CC(C)N(C(=O)c1ccc2c(c1)N(CCN)C(=O)C2(C)C)C1CCCCC1.
What is the InChIKey of 1-(2-aminoethyl)-N-cyclohexyl-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide?
The InChIKey is DGQNZAGUFWCMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-15(2)25(17-8-6-5-7-9-17)20(26)16-10-11-18-19(14-16)24(13-12-23)21(27)22(18,3)4/h10-11,14-15,17H,5-9,12-13,23H2,1-4H3.
What are the key properties of 1-(2-aminoethyl)-N-cyclohexyl-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide?
1-(2-aminoethyl)-N-cyclohexyl-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-cyclohexyl-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide is sourced from PubChem (CID 58376503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).