N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(methylamino)acetamide

C20H23N3O2 — CID 3041506

IUPACN-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc(C2NC(=O)C(C)(C)c3ccccc32)cc1
InChIInChI=1S/C20H23N3O2/c1-20(2)16-7-5-4-6-15(16)18(23-19(20)25)13-8-10-14(11-9-13)22-17(24)12-21-3/h4-11,18,21H,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyDFNNFJVYZRZOGF-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.34
Rot. Bonds4

About N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(methylamino)acetamide

N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(methylamino)acetamide (PubChem CID 3041506) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(methylamino)acetamide
PubChem CID3041506
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc(C2NC(=O)C(C)(C)c3ccccc32)cc1
InChIInChI=1S/C20H23N3O2/c1-20(2)16-7-5-4-6-15(16)18(23-19(20)25)13-8-10-14(11-9-13)22-17(24)12-21-3/h4-11,18,21H,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyDFNNFJVYZRZOGF-UHFFFAOYSA-N
XLogP2.34
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]acetamide
CID 13346828
N-[4-(cyclopentyloxymethyl)phenyl]-2-(methylamino)acetamide
CID 119795210
N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54820849
N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide
CID 119711447
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-methylphenyl)acetamide
CID 36674283
2-(methylamino)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672801
2-(dimethylamino)-N-[4-[(4R)-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 141182507
2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 120703837
2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
CID 119728481
N-[4-(ethylsulfonylamino)phenyl]-2-(methylamino)acetamide
CID 54863090
2-(methylamino)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 18084877
2-(methylamino)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide
CID 119793689

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(methylamino)acetamide?
The IUPAC name of N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(methylamino)acetamide (CID 3041506) is N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(methylamino)acetamide is CNCC(=O)Nc1ccc(C2NC(=O)C(C)(C)c3ccccc32)cc1.
What is the InChIKey of N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(methylamino)acetamide?
The InChIKey is DFNNFJVYZRZOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-20(2)16-7-5-4-6-15(16)18(23-19(20)25)13-8-10-14(11-9-13)22-17(24)12-21-3/h4-11,18,21H,12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(methylamino)acetamide?
N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(methylamino)acetamide has a molecular weight of 337.42 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(methylamino)acetamide is sourced from PubChem (CID 3041506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).