N-[2-(dimethylamino)-2-oxoethyl]-1-methoxy-N-propylisoquinoline-3-carboxamide

C18H23N3O3 — CID 51095483

IUPACN-[2-(dimethylamino)-2-oxoethyl]-1-methoxy-N-propylisoquinoline-3-carboxamide
SMILESCCCN(CC(=O)N(C)C)C(=O)c1cc2ccccc2c(OC)n1
InChIInChI=1S/C18H23N3O3/c1-5-10-21(12-16(22)20(2)3)18(23)15-11-13-8-6-7-9-14(13)17(19-15)24-4/h6-9,11H,5,10,12H2,1-4H3
InChIKeyNVAKZVGZKCQKAV-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.18
Rot. Bonds6

About N-[2-(dimethylamino)-2-oxoethyl]-1-methoxy-N-propylisoquinoline-3-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-1-methoxy-N-propylisoquinoline-3-carboxamide (PubChem CID 51095483) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-1-methoxy-N-propylisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-1-methoxy-N-propylisoquinoline-3-carboxamide
PubChem CID51095483
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-1-methoxy-N-propylisoquinoline-3-carboxamide
SMILESCCCN(CC(=O)N(C)C)C(=O)c1cc2ccccc2c(OC)n1
InChIInChI=1S/C18H23N3O3/c1-5-10-21(12-16(22)20(2)3)18(23)15-11-13-8-6-7-9-14(13)17(19-15)24-4/h6-9,11H,5,10,12H2,1-4H3
InChIKeyNVAKZVGZKCQKAV-UHFFFAOYSA-N
XLogP2.18
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]isoquinoline-3-carboxamide
CID 47078974
N-(2-anilino-2-oxoethyl)-1-methoxy-N-methylisoquinoline-3-carboxamide
CID 47079341
N-[(3S)-1,1-dioxothiolan-3-yl]-1-methoxy-N-methylisoquinoline-3-carboxamide
CID 97314912
N-(2-hydroxyethyl)-1-(methylamino)-N-propylisoquinoline-3-carboxamide
CID 62174192
2-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]benzoic acid
CID 61042461
6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide
CID 103337318
1-methoxy-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]isoquinoline-3-carboxamide
CID 99783936
N-butyl-1-chloro-N-ethylisoquinoline-3-carboxamide
CID 43343375
methyl 2-[imidazo[1,2-a]pyridine-2-carbonyl(propyl)amino]acetate
CID 60778991
N,N-dimethyl-1-(propylamino)isoquinoline-3-carboxamide
CID 62171251
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide
CID 54916469
1-amino-N-butyl-N-(2-hydroxyethyl)isoquinoline-3-carboxamide
CID 62160551

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-1-methoxy-N-propylisoquinoline-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-1-methoxy-N-propylisoquinoline-3-carboxamide (CID 51095483) is N-[2-(dimethylamino)-2-oxoethyl]-1-methoxy-N-propylisoquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-1-methoxy-N-propylisoquinoline-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-1-methoxy-N-propylisoquinoline-3-carboxamide is CCCN(CC(=O)N(C)C)C(=O)c1cc2ccccc2c(OC)n1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-1-methoxy-N-propylisoquinoline-3-carboxamide?
The InChIKey is NVAKZVGZKCQKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-5-10-21(12-16(22)20(2)3)18(23)15-11-13-8-6-7-9-14(13)17(19-15)24-4/h6-9,11H,5,10,12H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-1-methoxy-N-propylisoquinoline-3-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-1-methoxy-N-propylisoquinoline-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-1-methoxy-N-propylisoquinoline-3-carboxamide is sourced from PubChem (CID 51095483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).