N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide

C21H25N3O2 — CID 54817003

IUPACN-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)CN2CCCc3ccccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-15(2)21(26)23-18-11-9-17(10-12-18)22-20(25)14-24-13-5-7-16-6-3-4-8-19(16)24/h3-4,6,8-12,15H,5,7,13-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyVGCDICJNDSZVIF-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.67
Rot. Bonds5

About N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide

N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide (PubChem CID 54817003) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
PubChem CID54817003
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)CN2CCCc3ccccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-15(2)21(26)23-18-11-9-17(10-12-18)22-20(25)14-24-13-5-7-16-6-3-4-8-19(16)24/h3-4,6,8-12,15H,5,7,13-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyVGCDICJNDSZVIF-UHFFFAOYSA-N
XLogP3.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817030
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid
CID 28866702
N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54810898
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 46657943
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 2099393
2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)acetamide
CID 2402749
2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
N-benzyl-4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
CID 54817007
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)thiourea
CID 8659384
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2087425
(2R)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-iodo-N-phenylpropanamide
CID 126537248

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide (CID 54817003) is N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(NC(=O)CN2CCCc3ccccc32)cc1.
What is the InChIKey of N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is VGCDICJNDSZVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15(2)21(26)23-18-11-9-17(10-12-18)22-20(25)14-24-13-5-7-16-6-3-4-8-19(16)24/h3-4,6,8-12,15H,5,7,13-14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide?
N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide has a molecular weight of 351.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 54817003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).