N-(2-acetamidoethyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide

C17H21N3O3 — CID 110680262

IUPACN-(2-acetamidoethyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
SMILESCC(=O)NCCNC(=O)CCn1c(=O)c(C)cc2ccccc21
InChIInChI=1S/C17H21N3O3/c1-12-11-14-5-3-4-6-15(14)20(17(12)23)10-7-16(22)19-9-8-18-13(2)21/h3-6,11H,7-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyUUDBEUOBMNGYLB-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.95
Rot. Bonds6

About N-(2-acetamidoethyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide

N-(2-acetamidoethyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide (PubChem CID 110680262) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
PubChem CID110680262
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-(2-acetamidoethyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
SMILESCC(=O)NCCNC(=O)CCn1c(=O)c(C)cc2ccccc21
InChIInChI=1S/C17H21N3O3/c1-12-11-14-5-3-4-6-15(14)20(17(12)23)10-7-16(22)19-9-8-18-13(2)21/h3-6,11H,7-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyUUDBEUOBMNGYLB-UHFFFAOYSA-N
XLogP0.95
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680233
3-(3-methyl-2-oxoquinolin-1-yl)-N-pyrimidin-2-ylpropanamide
CID 110680287
N-(3-acetylphenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680283
1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-methylquinolin-2-one
CID 110680239
N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4287474
N-(3,4-difluorophenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680300
2-(3-fluorophenyl)-N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]acetamide
CID 110707094
N,N-diethyl-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680260
3-methyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinolin-2-one
CID 110680227
N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110741001
ethane;1-ethyl-3-methylquinolin-2-one
CID 142177817
2-(3-methyl-2-oxoquinolin-1-yl)-N-(4-methylphenyl)acetamide
CID 110680370

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide?
The IUPAC name of N-(2-acetamidoethyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide (CID 110680262) is N-(2-acetamidoethyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide is CC(=O)NCCNC(=O)CCn1c(=O)c(C)cc2ccccc21.
What is the InChIKey of N-(2-acetamidoethyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide?
The InChIKey is UUDBEUOBMNGYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-11-14-5-3-4-6-15(14)20(17(12)23)10-7-16(22)19-9-8-18-13(2)21/h3-6,11H,7-10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-(2-acetamidoethyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide?
N-(2-acetamidoethyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide has a molecular weight of 315.37 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide is sourced from PubChem (CID 110680262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).