N-[3-(N-ethyl-3-methylanilino)propyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide

C23H29N3O2 — CID 22548672

IUPACN-[3-(N-ethyl-3-methylanilino)propyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
SMILESCCN(CCCNC(=O)CN1C(=O)CCc2ccccc21)c1cccc(C)c1
InChIInChI=1S/C23H29N3O2/c1-3-25(20-10-6-8-18(2)16-20)15-7-14-24-22(27)17-26-21-11-5-4-9-19(21)12-13-23(26)28/h4-6,8-11,16H,3,7,12-15,17H2,1-2H3,(H,24,27)
InChIKeyGCXJYTFEHIKNKU-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.31
Rot. Bonds8

About N-[3-(N-ethyl-3-methylanilino)propyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide

N-[3-(N-ethyl-3-methylanilino)propyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide (PubChem CID 22548672) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[3-(N-ethyl-3-methylanilino)propyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(N-ethyl-3-methylanilino)propyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
PubChem CID22548672
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[3-(N-ethyl-3-methylanilino)propyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
SMILESCCN(CCCNC(=O)CN1C(=O)CCc2ccccc21)c1cccc(C)c1
InChIInChI=1S/C23H29N3O2/c1-3-25(20-10-6-8-18(2)16-20)15-7-14-24-22(27)17-26-21-11-5-4-9-19(21)12-13-23(26)28/h4-6,8-11,16H,3,7,12-15,17H2,1-2H3,(H,24,27)
InChIKeyGCXJYTFEHIKNKU-UHFFFAOYSA-N
XLogP3.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(N-ethyl-3-methylanilino)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3660980
5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid
CID 119235203
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 100831133
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 55606279
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548674
N-[3-(N-ethyl-3-methylanilino)propyl]-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 92696933
1-cyclooctyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 15992440
N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 5307131
2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid
CID 119187860
N-[3-(N-ethyl-3-methylanilino)propyl]-5-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)thiophene-2-carboxamide
CID 20944360
N-[2-[3-(N-ethyl-3-methylanilino)propylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 5127937

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethyl-3-methylanilino)propyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
The IUPAC name of N-[3-(N-ethyl-3-methylanilino)propyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide (CID 22548672) is N-[3-(N-ethyl-3-methylanilino)propyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide.
What is the SMILES notation for N-[3-(N-ethyl-3-methylanilino)propyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
The canonical SMILES for N-[3-(N-ethyl-3-methylanilino)propyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide is CCN(CCCNC(=O)CN1C(=O)CCc2ccccc21)c1cccc(C)c1.
What is the InChIKey of N-[3-(N-ethyl-3-methylanilino)propyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
The InChIKey is GCXJYTFEHIKNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-25(20-10-6-8-18(2)16-20)15-7-14-24-22(27)17-26-21-11-5-4-9-19(21)12-13-23(26)28/h4-6,8-11,16H,3,7,12-15,17H2,1-2H3,(H,24,27).
What are the key properties of N-[3-(N-ethyl-3-methylanilino)propyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
N-[3-(N-ethyl-3-methylanilino)propyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide has a molecular weight of 379.50 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethyl-3-methylanilino)propyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide is sourced from PubChem (CID 22548672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).