N-[2-(1-adamantyl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C24H32N2O2 — CID 18142430

IUPACN-[2-(1-adamantyl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESO=C(CCC1Cc2ccccc2NC1=O)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H32N2O2/c27-22(6-5-20-12-19-3-1-2-4-21(19)26-23(20)28)25-8-7-24-13-16-9-17(14-24)11-18(10-16)15-24/h1-4,16-18,20H,5-15H2,(H,25,27)(H,26,28)
InChIKeyRXOSSPOVLHUCKV-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.30
Rot. Bonds6

About N-[2-(1-adamantyl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

N-[2-(1-adamantyl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 18142430) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
PubChem CID18142430
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-[2-(1-adamantyl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESO=C(CCC1Cc2ccccc2NC1=O)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H32N2O2/c27-22(6-5-20-12-19-3-1-2-4-21(19)26-23(20)28)25-8-7-24-13-16-9-17(14-24)11-18(10-16)15-24/h1-4,16-18,20H,5-15H2,(H,25,27)(H,26,28)
InChIKeyRXOSSPOVLHUCKV-UHFFFAOYSA-N
XLogP4.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxypropyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78854593
N-(2-hydroxyethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78839484
N-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119383150
N-[3-(methylamino)propyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119430985
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 24633457
N-[2-(cycloheptylamino)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 119619916
methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate
CID 134051213
N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 119641050
N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119641049
N-[2-(4-methoxyphenyl)ethyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 51537762
N-[(2-fluorophenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16621979
N-(3-cyclohexyloxypropyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18143021

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 18142430) is N-[2-(1-adamantyl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is O=C(CCC1Cc2ccccc2NC1=O)NCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The InChIKey is RXOSSPOVLHUCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c27-22(6-5-20-12-19-3-1-2-4-21(19)26-23(20)28)25-8-7-24-13-16-9-17(14-24)11-18(10-16)15-24/h1-4,16-18,20H,5-15H2,(H,25,27)(H,26,28).
What are the key properties of N-[2-(1-adamantyl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
N-[2-(1-adamantyl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 380.53 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 18142430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).