N-[3-(diethylamino)propyl]-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide

C20H28N4O3 — CID 22422688

IUPACN-[3-(diethylamino)propyl]-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
SMILESCCN(CC)CCCNC(=O)CNC(=O)Cn1ccc2ccccc2c1=O
InChIInChI=1S/C20H28N4O3/c1-3-23(4-2)12-7-11-21-18(25)14-22-19(26)15-24-13-10-16-8-5-6-9-17(16)20(24)27/h5-6,8-10,13H,3-4,7,11-12,14-15H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyPJBRFCXNPOLIHM-UHFFFAOYSA-N
MW372.47 g/mol
LogP0.97
Rot. Bonds10

About N-[3-(diethylamino)propyl]-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide

N-[3-(diethylamino)propyl]-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide (PubChem CID 22422688) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
PubChem CID22422688
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[3-(diethylamino)propyl]-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
SMILESCCN(CC)CCCNC(=O)CNC(=O)Cn1ccc2ccccc2c1=O
InChIInChI=1S/C20H28N4O3/c1-3-23(4-2)12-7-11-21-18(25)14-22-19(26)15-24-13-10-16-8-5-6-9-17(16)20(24)27/h5-6,8-10,13H,3-4,7,11-12,14-15H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyPJBRFCXNPOLIHM-UHFFFAOYSA-N
XLogP0.97
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
CID 15998064
2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 122174616
N,N-diethyl-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide
CID 46506298
N-butan-2-yl-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
CID 15997084
3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-propan-2-ylpropanamide
CID 46506285
2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-pyridin-1-ium-2-ylacetamide
CID 4164274
N-[2-[benzyl(methyl)amino]ethyl]-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide
CID 3237972
ethyl 4-[2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetyl]piperazine-1-carboxylate
CID 46506023
N-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46356945
N-[3-(4-methylpiperidin-1-yl)propyl]-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide
CID 46506302
N-[3-(diethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 3126535
N-[3-(diethylamino)propyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295469

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide (CID 22422688) is N-[3-(diethylamino)propyl]-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide is CCN(CC)CCCNC(=O)CNC(=O)Cn1ccc2ccccc2c1=O.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide?
The InChIKey is PJBRFCXNPOLIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-3-23(4-2)12-7-11-21-18(25)14-22-19(26)15-24-13-10-16-8-5-6-9-17(16)20(24)27/h5-6,8-10,13H,3-4,7,11-12,14-15H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-[3-(diethylamino)propyl]-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide?
N-[3-(diethylamino)propyl]-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide has a molecular weight of 372.47 g/mol, XLogP of 0.97, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide is sourced from PubChem (CID 22422688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).