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

C21H25N3O2 — CID 54817030

IUPACN-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)CN2CCCc3ccccc32)c1
InChIInChI=1S/C21H25N3O2/c1-15(2)21(26)23-18-10-5-9-17(13-18)22-20(25)14-24-12-6-8-16-7-3-4-11-19(16)24/h3-5,7,9-11,13,15H,6,8,12,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyIABIAFAHFAWBIG-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.67
Rot. Bonds5

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

N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide (PubChem CID 54817030) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
PubChem CID54817030
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)CN2CCCc3ccccc32)c1
InChIInChI=1S/C21H25N3O2/c1-15(2)21(26)23-18-10-5-9-17(13-18)22-20(25)14-24-12-6-8-16-7-3-4-11-19(16)24/h3-5,7,9-11,13,15H,6,8,12,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyIABIAFAHFAWBIG-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-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide with MolForge

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Related Compounds

N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54810898
N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817003
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 2099393
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid
CID 28866702
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 46657943
2-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 26853830
2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54810873
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 27131729
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 22199883
N-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
CID 108953400

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide (CID 54817030) is N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(NC(=O)CN2CCCc3ccccc32)c1.
What is the InChIKey of N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is IABIAFAHFAWBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15(2)21(26)23-18-10-5-9-17(13-18)22-20(25)14-24-12-6-8-16-7-3-4-11-19(16)24/h3-5,7,9-11,13,15H,6,8,12,14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide?
N-[3-[[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-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 54817030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).