N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(2,5-dioxo-1-phenylimidazolidin-4-yl)-N-(2-methoxyethyl)acetamide

C24H34N4O4 — CID 122169973

IUPACN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(2,5-dioxo-1-phenylimidazolidin-4-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CC1CCCN2CCCCC12)C(=O)CC1NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C24H34N4O4/c1-32-15-14-27(17-18-8-7-13-26-12-6-5-11-21(18)26)22(29)16-20-23(30)28(24(31)25-20)19-9-3-2-4-10-19/h2-4,9-10,18,20-21H,5-8,11-17H2,1H3,(H,25,31)
InChIKeyNXEGQAPGHLHBDK-UHFFFAOYSA-N
MW442.56 g/mol
LogP2.24
Rot. Bonds8

About N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(2,5-dioxo-1-phenylimidazolidin-4-yl)-N-(2-methoxyethyl)acetamide

N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(2,5-dioxo-1-phenylimidazolidin-4-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 122169973) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(2,5-dioxo-1-phenylimidazolidin-4-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(2,5-dioxo-1-phenylimidazolidin-4-yl)-N-(2-methoxyethyl)acetamide
PubChem CID122169973
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(2,5-dioxo-1-phenylimidazolidin-4-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CC1CCCN2CCCCC12)C(=O)CC1NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C24H34N4O4/c1-32-15-14-27(17-18-8-7-13-26-12-6-5-11-21(18)26)22(29)16-20-23(30)28(24(31)25-20)19-9-3-2-4-10-19/h2-4,9-10,18,20-21H,5-8,11-17H2,1H3,(H,25,31)
InChIKeyNXEGQAPGHLHBDK-UHFFFAOYSA-N
XLogP2.24
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(2,5-dioxo-1-phenylimidazolidin-4-yl)-N-(2-methoxyethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(3-methoxypropyl)acetamide
CID 126418103
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)acetamide
CID 126418775
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-methylacetamide
CID 126417715
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-methylacetamide
CID 126418710
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(1-methylindol-3-yl)propanamide
CID 122169942
(3R)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-benzyl-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 126417555
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-(3-methoxypropyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137169804
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(3-methoxypropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137058806
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methoxypropyl)acetamide
CID 122169767
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
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 122169930
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide
CID 125462640

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(2,5-dioxo-1-phenylimidazolidin-4-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(2,5-dioxo-1-phenylimidazolidin-4-yl)-N-(2-methoxyethyl)acetamide (CID 122169973) is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(2,5-dioxo-1-phenylimidazolidin-4-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(2,5-dioxo-1-phenylimidazolidin-4-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(2,5-dioxo-1-phenylimidazolidin-4-yl)-N-(2-methoxyethyl)acetamide is COCCN(CC1CCCN2CCCCC12)C(=O)CC1NC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(2,5-dioxo-1-phenylimidazolidin-4-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is NXEGQAPGHLHBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-32-15-14-27(17-18-8-7-13-26-12-6-5-11-21(18)26)22(29)16-20-23(30)28(24(31)25-20)19-9-3-2-4-10-19/h2-4,9-10,18,20-21H,5-8,11-17H2,1H3,(H,25,31).
What are the key properties of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(2,5-dioxo-1-phenylimidazolidin-4-yl)-N-(2-methoxyethyl)acetamide?
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(2,5-dioxo-1-phenylimidazolidin-4-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 442.56 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 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)-2-(2,5-dioxo-1-phenylimidazolidin-4-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 122169973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).