7-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C22H39N3O2 — CID 167348575

IUPAC7-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCC(NC(=O)C2CC3CCCC(C)C3N2)CC1CN1CCOCC1
InChIInChI=1S/C22H39N3O2/c1-15-6-7-19(12-18(15)14-25-8-10-27-11-9-25)23-22(26)20-13-17-5-3-4-16(2)21(17)24-20/h15-21,24H,3-14H2,1-2H3,(H,23,26)
InChIKeyMACLLMHQXDTUTF-UHFFFAOYSA-N
MW377.57 g/mol
LogP2.41
Rot. Bonds4

About 7-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

7-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 167348575) has the molecular formula C22H39N3O2 and a molecular weight of 377.57 g/mol. Its IUPAC name is 7-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID167348575
Molecular FormulaC22H39N3O2
Molecular Weight377.57 g/mol
Exact Mass377.30
IUPAC Name7-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCC(NC(=O)C2CC3CCCC(C)C3N2)CC1CN1CCOCC1
InChIInChI=1S/C22H39N3O2/c1-15-6-7-19(12-18(15)14-25-8-10-27-11-9-25)23-22(26)20-13-17-5-3-4-16(2)21(17)24-20/h15-21,24H,3-14H2,1-2H3,(H,23,26)
InChIKeyMACLLMHQXDTUTF-UHFFFAOYSA-N
XLogP2.41
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.57
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of 7-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 167348575) is 7-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for 7-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CC1CCC(NC(=O)C2CC3CCCC(C)C3N2)CC1CN1CCOCC1.
What is the InChIKey of 7-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is MACLLMHQXDTUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3O2/c1-15-6-7-19(12-18(15)14-25-8-10-27-11-9-25)23-22(26)20-13-17-5-3-4-16(2)21(17)24-20/h15-21,24H,3-14H2,1-2H3,(H,23,26).
What are the key properties of 7-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
7-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 377.57 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 167348575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).