1-cyclohexyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-2-methylindole-3-carboxamide

C23H33N3O3 — CID 112771381

IUPAC1-cyclohexyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-2-methylindole-3-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1c(C)n(C2CCCCC2)c2ccc(OC)cc12
InChIInChI=1S/C23H33N3O3/c1-5-24-21(27)15-25(6-2)23(28)22-16(3)26(17-10-8-7-9-11-17)20-13-12-18(29-4)14-19(20)22/h12-14,17H,5-11,15H2,1-4H3,(H,24,27)
InChIKeyZQZYORCNPGHOIF-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.06
Rot. Bonds7

About 1-cyclohexyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-2-methylindole-3-carboxamide

1-cyclohexyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-2-methylindole-3-carboxamide (PubChem CID 112771381) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-2-methylindole-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-2-methylindole-3-carboxamide
PubChem CID112771381
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name1-cyclohexyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-2-methylindole-3-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1c(C)n(C2CCCCC2)c2ccc(OC)cc12
InChIInChI=1S/C23H33N3O3/c1-5-24-21(27)15-25(6-2)23(28)22-16(3)26(17-10-8-7-9-11-17)20-13-12-18(29-4)14-19(20)22/h12-14,17H,5-11,15H2,1-4H3,(H,24,27)
InChIKeyZQZYORCNPGHOIF-UHFFFAOYSA-N
XLogP4.06
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-2-methylindole-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-2-methylindole-3-carboxamide (CID 112771381) is 1-cyclohexyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-2-methylindole-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-2-methylindole-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-2-methylindole-3-carboxamide is CCNC(=O)CN(CC)C(=O)c1c(C)n(C2CCCCC2)c2ccc(OC)cc12.
What is the InChIKey of 1-cyclohexyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-2-methylindole-3-carboxamide?
The InChIKey is ZQZYORCNPGHOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-5-24-21(27)15-25(6-2)23(28)22-16(3)26(17-10-8-7-9-11-17)20-13-12-18(29-4)14-19(20)22/h12-14,17H,5-11,15H2,1-4H3,(H,24,27).
What are the key properties of 1-cyclohexyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-2-methylindole-3-carboxamide?
1-cyclohexyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-2-methylindole-3-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-2-methylindole-3-carboxamide is sourced from PubChem (CID 112771381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).