N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C18H27N3O2 — CID 119653931

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCN(CC(C)(C)CN)C(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C18H27N3O2/c1-18(2,11-19)12-21(3)16(22)9-8-14-10-13-6-4-5-7-15(13)20-17(14)23/h4-7,14H,8-12,19H2,1-3H3,(H,20,23)
InChIKeyGTCJFNBHXPVNJB-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.02
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 119653931) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
PubChem CID119653931
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCN(CC(C)(C)CN)C(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C18H27N3O2/c1-18(2,11-19)12-21(3)16(22)9-8-14-10-13-6-4-5-7-15(13)20-17(14)23/h4-7,14H,8-12,19H2,1-3H3,(H,20,23)
InChIKeyGTCJFNBHXPVNJB-UHFFFAOYSA-N
XLogP2.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide with MolForge

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 111543322
N-[(2-chlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18142208
N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 18162223
N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16622329
N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 119641050
2-[cyclopropyl-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]amino]propanoic acid
CID 119203368
N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119641049
N-(3,5-dimethylphenyl)-N-ethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 55592669
N-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119383150
N-benzyl-N-butan-2-yl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 43042321
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18142585
methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate
CID 134051213

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 119653931) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is CN(CC(C)(C)CN)C(=O)CCC1Cc2ccccc2NC1=O.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The InChIKey is GTCJFNBHXPVNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-18(2,11-19)12-21(3)16(22)9-8-14-10-13-6-4-5-7-15(13)20-17(14)23/h4-7,14H,8-12,19H2,1-3H3,(H,20,23).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 317.43 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 119653931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).