N-ethyl-3,3-dimethyl-2-oxo-N-[(2R)-3,3,4,4-tetramethyl-1,2-dihydronaphthalen-2-yl]-1H-indole-5-carboxamide

C27H34N2O2 — CID 71011998

IUPACN-ethyl-3,3-dimethyl-2-oxo-N-[(2R)-3,3,4,4-tetramethyl-1,2-dihydronaphthalen-2-yl]-1H-indole-5-carboxamide
SMILESCCN(C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)[C@@H]1Cc2ccccc2C(C)(C)C1(C)C
InChIInChI=1S/C27H34N2O2/c1-8-29(22-16-17-11-9-10-12-19(17)26(4,5)27(22,6)7)23(30)18-13-14-21-20(15-18)25(2,3)24(31)28-21/h9-15,22H,8,16H2,1-7H3,(H,28,31)/t22-/m1/s1
InChIKeyMPEPGSOBIVOLDM-JOCHJYFZSA-N
MW418.58 g/mol
LogP5.31
Rot. Bonds3

About N-ethyl-3,3-dimethyl-2-oxo-N-[(2R)-3,3,4,4-tetramethyl-1,2-dihydronaphthalen-2-yl]-1H-indole-5-carboxamide

N-ethyl-3,3-dimethyl-2-oxo-N-[(2R)-3,3,4,4-tetramethyl-1,2-dihydronaphthalen-2-yl]-1H-indole-5-carboxamide (PubChem CID 71011998) has the molecular formula C27H34N2O2 and a molecular weight of 418.58 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-2-oxo-N-[(2R)-3,3,4,4-tetramethyl-1,2-dihydronaphthalen-2-yl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-2-oxo-N-[(2R)-3,3,4,4-tetramethyl-1,2-dihydronaphthalen-2-yl]-1H-indole-5-carboxamide
PubChem CID71011998
Molecular FormulaC27H34N2O2
Molecular Weight418.58 g/mol
Exact Mass418.26
IUPAC NameN-ethyl-3,3-dimethyl-2-oxo-N-[(2R)-3,3,4,4-tetramethyl-1,2-dihydronaphthalen-2-yl]-1H-indole-5-carboxamide
SMILESCCN(C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)[C@@H]1Cc2ccccc2C(C)(C)C1(C)C
InChIInChI=1S/C27H34N2O2/c1-8-29(22-16-17-11-9-10-12-19(17)26(4,5)27(22,6)7)23(30)18-13-14-21-20(15-18)25(2,3)24(31)28-21/h9-15,22H,8,16H2,1-7H3,(H,28,31)/t22-/m1/s1
InChIKeyMPEPGSOBIVOLDM-JOCHJYFZSA-N
XLogP5.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-2-oxo-N-[(2R)-3,3,4,4-tetramethyl-1,2-dihydronaphthalen-2-yl]-1H-indole-5-carboxamide?
The IUPAC name of N-ethyl-3,3-dimethyl-2-oxo-N-[(2R)-3,3,4,4-tetramethyl-1,2-dihydronaphthalen-2-yl]-1H-indole-5-carboxamide (CID 71011998) is N-ethyl-3,3-dimethyl-2-oxo-N-[(2R)-3,3,4,4-tetramethyl-1,2-dihydronaphthalen-2-yl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-ethyl-3,3-dimethyl-2-oxo-N-[(2R)-3,3,4,4-tetramethyl-1,2-dihydronaphthalen-2-yl]-1H-indole-5-carboxamide?
The canonical SMILES for N-ethyl-3,3-dimethyl-2-oxo-N-[(2R)-3,3,4,4-tetramethyl-1,2-dihydronaphthalen-2-yl]-1H-indole-5-carboxamide is CCN(C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)[C@@H]1Cc2ccccc2C(C)(C)C1(C)C.
What is the InChIKey of N-ethyl-3,3-dimethyl-2-oxo-N-[(2R)-3,3,4,4-tetramethyl-1,2-dihydronaphthalen-2-yl]-1H-indole-5-carboxamide?
The InChIKey is MPEPGSOBIVOLDM-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H34N2O2/c1-8-29(22-16-17-11-9-10-12-19(17)26(4,5)27(22,6)7)23(30)18-13-14-21-20(15-18)25(2,3)24(31)28-21/h9-15,22H,8,16H2,1-7H3,(H,28,31)/t22-/m1/s1.
What are the key properties of N-ethyl-3,3-dimethyl-2-oxo-N-[(2R)-3,3,4,4-tetramethyl-1,2-dihydronaphthalen-2-yl]-1H-indole-5-carboxamide?
N-ethyl-3,3-dimethyl-2-oxo-N-[(2R)-3,3,4,4-tetramethyl-1,2-dihydronaphthalen-2-yl]-1H-indole-5-carboxamide has a molecular weight of 418.58 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-2-oxo-N-[(2R)-3,3,4,4-tetramethyl-1,2-dihydronaphthalen-2-yl]-1H-indole-5-carboxamide is sourced from PubChem (CID 71011998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).