N-benzyl-2-(1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide

C23H24N2O3 — CID 72851148

IUPACN-benzyl-2-(1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1ccc2ccccc2c1=O)N(Cc1ccccc1)CC1CCCO1
InChIInChI=1S/C23H24N2O3/c26-22(17-24-13-12-19-9-4-5-11-21(19)23(24)27)25(16-20-10-6-14-28-20)15-18-7-2-1-3-8-18/h1-5,7-9,11-13,20H,6,10,14-17H2
InChIKeyKBPZYPNJOBICQT-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.21
Rot. Bonds6

About N-benzyl-2-(1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide

N-benzyl-2-(1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 72851148) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-benzyl-2-(1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID72851148
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-benzyl-2-(1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1ccc2ccccc2c1=O)N(Cc1ccccc1)CC1CCCO1
InChIInChI=1S/C23H24N2O3/c26-22(17-24-13-12-19-9-4-5-11-21(19)23(24)27)25(16-20-10-6-14-28-20)15-18-7-2-1-3-8-18/h1-5,7-9,11-13,20H,6,10,14-17H2
InChIKeyKBPZYPNJOBICQT-UHFFFAOYSA-N
XLogP3.21
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(oxan-2-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 72938624
2-indol-1-yl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 91770989
3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
CID 119302483
(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide
CID 119302482
2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide
CID 119747350
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
4-[3-[benzyl(oxolan-2-ylmethyl)amino]-3-oxopropyl]benzoic acid
CID 119182305
4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide
CID 120561181
N-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 97270295
N-[[4-(dimethylamino)phenyl]methyl]-2-naphthalen-1-yl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 35526797
N-[[4-(dimethylamino)phenyl]methyl]-2-naphthalen-1-yl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 35526794
4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 129467722

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-(1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 72851148) is N-benzyl-2-(1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-(1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-(1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide is O=C(Cn1ccc2ccccc2c1=O)N(Cc1ccccc1)CC1CCCO1.
What is the InChIKey of N-benzyl-2-(1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is KBPZYPNJOBICQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c26-22(17-24-13-12-19-9-4-5-11-21(19)23(24)27)25(16-20-10-6-14-28-20)15-18-7-2-1-3-8-18/h1-5,7-9,11-13,20H,6,10,14-17H2.
What are the key properties of N-benzyl-2-(1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
N-benzyl-2-(1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 72851148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).