6,7-dimethoxy-2-methyl-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide

C28H41N3O4 — CID 101196288

IUPAC6,7-dimethoxy-2-methyl-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)c(C)n(CCN3CCOCC3)c2c1OC
InChIInChI=1S/C28H41N3O4/c1-18-22(25(32)29-26-27(2,3)19-9-10-28(26,4)17-19)20-7-8-21(33-5)24(34-6)23(20)31(18)12-11-30-13-15-35-16-14-30/h7-8,19,26H,9-17H2,1-6H3,(H,29,32)/t19-,26-,28+/m1/s1
InChIKeyNKDCWAQDGIHANV-YPLOMLCWSA-N
MW483.65 g/mol
LogP4.24
Rot. Bonds7

About 6,7-dimethoxy-2-methyl-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide

6,7-dimethoxy-2-methyl-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide (PubChem CID 101196288) has the molecular formula C28H41N3O4 and a molecular weight of 483.65 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide
PubChem CID101196288
Molecular FormulaC28H41N3O4
Molecular Weight483.65 g/mol
Exact Mass483.31
IUPAC Name6,7-dimethoxy-2-methyl-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)c(C)n(CCN3CCOCC3)c2c1OC
InChIInChI=1S/C28H41N3O4/c1-18-22(25(32)29-26-27(2,3)19-9-10-28(26,4)17-19)20-7-8-21(33-5)24(34-6)23(20)31(18)12-11-30-13-15-35-16-14-30/h7-8,19,26H,9-17H2,1-6H3,(H,29,32)/t19-,26-,28+/m1/s1
InChIKeyNKDCWAQDGIHANV-YPLOMLCWSA-N
XLogP4.24
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.65
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6,7-dimethoxy-2-methyl-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide with MolForge

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Related Compounds

5-fluoro-7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide
CID 101196301
7-methoxy-2-methyl-1-(2-pyrrolidin-1-ylethyl)-N-[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide
CID 163684338
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indazole-3-carboxamide
CID 10928335
7-methoxy-2-methyl-1-(pyridin-3-ylmethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide
CID 10181182
methyl (2S)-2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3,3-dimethylbutanoate
CID 10297343
2-methyl-1-(2-morpholin-4-ylethyl)-N-[(2S)-1-oxo-3-phenyl-1-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-2-yl]pyrrole-3-carboxamide
CID 59111939
6-methoxy-3-methyl-5-(2-morpholin-4-ylethyl)-2-[(1S,2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrido[4,3-b]indol-1-one
CID 70024147
6-methoxy-3-methyl-5-(2-morpholin-4-ylethyl)-2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrido[4,3-b]indol-1-one
CID 10277327
(2S)-2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3-phenylpropanoic acid
CID 91381150
methyl 2-[[7-methoxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbonyl]amino]-3-phenylpropanoate
CID 18765471
N-[(2R)-butan-2-yl]-5-fluoro-7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carboxamide
CID 10111044
methyl 2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3-(1,3-thiazol-4-yl)propanoate
CID 20604575

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide?
The IUPAC name of 6,7-dimethoxy-2-methyl-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide (CID 101196288) is 6,7-dimethoxy-2-methyl-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide?
The canonical SMILES for 6,7-dimethoxy-2-methyl-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide is COc1ccc2c(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)c(C)n(CCN3CCOCC3)c2c1OC.
What is the InChIKey of 6,7-dimethoxy-2-methyl-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide?
The InChIKey is NKDCWAQDGIHANV-YPLOMLCWSA-N. The full InChI is InChI=1S/C28H41N3O4/c1-18-22(25(32)29-26-27(2,3)19-9-10-28(26,4)17-19)20-7-8-21(33-5)24(34-6)23(20)31(18)12-11-30-13-15-35-16-14-30/h7-8,19,26H,9-17H2,1-6H3,(H,29,32)/t19-,26-,28+/m1/s1.
What are the key properties of 6,7-dimethoxy-2-methyl-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide?
6,7-dimethoxy-2-methyl-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide has a molecular weight of 483.65 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide is sourced from PubChem (CID 101196288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).