N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-(2-methoxyethyl)-3-methyl-2-pyrrol-1-ylbutanamide

C22H37N3O2 — CID 163091672

IUPACN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-(2-methoxyethyl)-3-methyl-2-pyrrol-1-ylbutanamide
SMILESCOCCN(CC1CCCN2CCCCC12)C(=O)C(C(C)C)n1cccc1
InChIInChI=1S/C22H37N3O2/c1-18(2)21(24-12-6-7-13-24)22(26)25(15-16-27-3)17-19-9-8-14-23-11-5-4-10-20(19)23/h6-7,12-13,18-21H,4-5,8-11,14-17H2,1-3H3
InChIKeyJTNWNFZKDCSZLZ-UHFFFAOYSA-N
MW375.56 g/mol
LogP3.42
Rot. Bonds8

About N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-(2-methoxyethyl)-3-methyl-2-pyrrol-1-ylbutanamide

N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-(2-methoxyethyl)-3-methyl-2-pyrrol-1-ylbutanamide (PubChem CID 163091672) has the molecular formula C22H37N3O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-(2-methoxyethyl)-3-methyl-2-pyrrol-1-ylbutanamide.

Molecular Properties

Compound NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-(2-methoxyethyl)-3-methyl-2-pyrrol-1-ylbutanamide
PubChem CID163091672
Molecular FormulaC22H37N3O2
Molecular Weight375.56 g/mol
Exact Mass375.29
IUPAC NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-(2-methoxyethyl)-3-methyl-2-pyrrol-1-ylbutanamide
SMILESCOCCN(CC1CCCN2CCCCC12)C(=O)C(C(C)C)n1cccc1
InChIInChI=1S/C22H37N3O2/c1-18(2)21(24-12-6-7-13-24)22(26)25(15-16-27-3)17-19-9-8-14-23-11-5-4-10-20(19)23/h6-7,12-13,18-21H,4-5,8-11,14-17H2,1-3H3
InChIKeyJTNWNFZKDCSZLZ-UHFFFAOYSA-N
XLogP3.42
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-(2-methoxyethyl)-3-methyl-2-pyrrol-1-ylbutanamide?
The IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-(2-methoxyethyl)-3-methyl-2-pyrrol-1-ylbutanamide (CID 163091672) is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-(2-methoxyethyl)-3-methyl-2-pyrrol-1-ylbutanamide.
What is the SMILES notation for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-(2-methoxyethyl)-3-methyl-2-pyrrol-1-ylbutanamide?
The canonical SMILES for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-(2-methoxyethyl)-3-methyl-2-pyrrol-1-ylbutanamide is COCCN(CC1CCCN2CCCCC12)C(=O)C(C(C)C)n1cccc1.
What is the InChIKey of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-(2-methoxyethyl)-3-methyl-2-pyrrol-1-ylbutanamide?
The InChIKey is JTNWNFZKDCSZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O2/c1-18(2)21(24-12-6-7-13-24)22(26)25(15-16-27-3)17-19-9-8-14-23-11-5-4-10-20(19)23/h6-7,12-13,18-21H,4-5,8-11,14-17H2,1-3H3.
What are the key properties of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-(2-methoxyethyl)-3-methyl-2-pyrrol-1-ylbutanamide?
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-(2-methoxyethyl)-3-methyl-2-pyrrol-1-ylbutanamide has a molecular weight of 375.56 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-(2-methoxyethyl)-3-methyl-2-pyrrol-1-ylbutanamide is sourced from PubChem (CID 163091672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).