N-ethyl-2,2-dimethyl-N-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl)methyl]propanamide

C20H28N2O2 — CID 138975928

IUPACN-ethyl-2,2-dimethyl-N-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl)methyl]propanamide
SMILESCCN(CC1CCN2C(=O)c3ccccc3C2C1)C(=O)C(C)(C)C
InChIInChI=1S/C20H28N2O2/c1-5-21(19(24)20(2,3)4)13-14-10-11-22-17(12-14)15-8-6-7-9-16(15)18(22)23/h6-9,14,17H,5,10-13H2,1-4H3
InChIKeySBHFWWVQQCPOJH-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.49
Rot. Bonds3

About N-ethyl-2,2-dimethyl-N-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl)methyl]propanamide

N-ethyl-2,2-dimethyl-N-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl)methyl]propanamide (PubChem CID 138975928) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-N-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-N-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl)methyl]propanamide
PubChem CID138975928
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-ethyl-2,2-dimethyl-N-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl)methyl]propanamide
SMILESCCN(CC1CCN2C(=O)c3ccccc3C2C1)C(=O)C(C)(C)C
InChIInChI=1S/C20H28N2O2/c1-5-21(19(24)20(2,3)4)13-14-10-11-22-17(12-14)15-8-6-7-9-16(15)18(22)23/h6-9,14,17H,5,10-13H2,1-4H3
InChIKeySBHFWWVQQCPOJH-UHFFFAOYSA-N
XLogP3.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2,2-dimethyl-N-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl)methyl]propanamide with MolForge

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Related Compounds

(2R,10bS)-2-hydroxy-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one
CID 101357421
2-tert-butyl-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one
CID 71029773
2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride
CID 119891442
2-(6-oxo-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindol-2-yl)acetic acid
CID 12901798
ethyl 2-[(9bS)-5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-1-yl]acetate
CID 15411735
(10bS)-2-(2-methylpropanoyl)-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one;hydrochloride
CID 155856479
2-amino-N-ethyl-2-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide
CID 120597131
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-2-methylpropanamide;dihydrochloride
CID 119897569
2-[3-(dimethylamino)propanoyl]-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one
CID 12901796
N,N-diethyl-2-hydroxy-1,3-dioxo-4H-isoquinoline-4-carboxamide
CID 67984550
3-methyl-2,3,4,4a-tetrahydro-1H-pyrimido[1,6-b]isoindol-9-one
CID 12901808
[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 175267602

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-N-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl)methyl]propanamide?
The IUPAC name of N-ethyl-2,2-dimethyl-N-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl)methyl]propanamide (CID 138975928) is N-ethyl-2,2-dimethyl-N-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl)methyl]propanamide.
What is the SMILES notation for N-ethyl-2,2-dimethyl-N-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl)methyl]propanamide?
The canonical SMILES for N-ethyl-2,2-dimethyl-N-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl)methyl]propanamide is CCN(CC1CCN2C(=O)c3ccccc3C2C1)C(=O)C(C)(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-N-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl)methyl]propanamide?
The InChIKey is SBHFWWVQQCPOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-5-21(19(24)20(2,3)4)13-14-10-11-22-17(12-14)15-8-6-7-9-16(15)18(22)23/h6-9,14,17H,5,10-13H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-N-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl)methyl]propanamide?
N-ethyl-2,2-dimethyl-N-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl)methyl]propanamide has a molecular weight of 328.46 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-N-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl)methyl]propanamide is sourced from PubChem (CID 138975928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).