N-[2-[acetyl-(1-methylisoquinolin-4-yl)amino]ethyl]acetamide

C16H19N3O2 — CID 10636882

IUPACN-[2-[acetyl-(1-methylisoquinolin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCN(C(C)=O)c1cnc(C)c2ccccc12
InChIInChI=1S/C16H19N3O2/c1-11-14-6-4-5-7-15(14)16(10-18-11)19(13(3)21)9-8-17-12(2)20/h4-7,10H,8-9H2,1-3H3,(H,17,20)
InChIKeyYTOMZPPNPOJNOK-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.03
Rot. Bonds4

About N-[2-[acetyl-(1-methylisoquinolin-4-yl)amino]ethyl]acetamide

N-[2-[acetyl-(1-methylisoquinolin-4-yl)amino]ethyl]acetamide (PubChem CID 10636882) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-[acetyl-(1-methylisoquinolin-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[acetyl-(1-methylisoquinolin-4-yl)amino]ethyl]acetamide
PubChem CID10636882
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[2-[acetyl-(1-methylisoquinolin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCN(C(C)=O)c1cnc(C)c2ccccc12
InChIInChI=1S/C16H19N3O2/c1-11-14-6-4-5-7-15(14)16(10-18-11)19(13(3)21)9-8-17-12(2)20/h4-7,10H,8-9H2,1-3H3,(H,17,20)
InChIKeyYTOMZPPNPOJNOK-UHFFFAOYSA-N
XLogP2.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-(1-methylisoquinolin-4-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[acetyl-(1-methylisoquinolin-4-yl)amino]ethyl]acetamide (CID 10636882) is N-[2-[acetyl-(1-methylisoquinolin-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[acetyl-(1-methylisoquinolin-4-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[acetyl-(1-methylisoquinolin-4-yl)amino]ethyl]acetamide is CC(=O)NCCN(C(C)=O)c1cnc(C)c2ccccc12.
What is the InChIKey of N-[2-[acetyl-(1-methylisoquinolin-4-yl)amino]ethyl]acetamide?
The InChIKey is YTOMZPPNPOJNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-14-6-4-5-7-15(14)16(10-18-11)19(13(3)21)9-8-17-12(2)20/h4-7,10H,8-9H2,1-3H3,(H,17,20).
What are the key properties of N-[2-[acetyl-(1-methylisoquinolin-4-yl)amino]ethyl]acetamide?
N-[2-[acetyl-(1-methylisoquinolin-4-yl)amino]ethyl]acetamide has a molecular weight of 285.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-(1-methylisoquinolin-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 10636882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).