N-(2-amino-2-phenylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide

C20H23N3O2 — CID 119527590

IUPACN-(2-amino-2-phenylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide
SMILESNC(CNC(=O)CCN1C(=O)CCc2ccccc21)c1ccccc1
InChIInChI=1S/C20H23N3O2/c21-17(15-6-2-1-3-7-15)14-22-19(24)12-13-23-18-9-5-4-8-16(18)10-11-20(23)25/h1-9,17H,10-14,21H2,(H,22,24)
InChIKeyARBLVELHAGBYTA-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.17
Rot. Bonds6

About N-(2-amino-2-phenylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide

N-(2-amino-2-phenylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide (PubChem CID 119527590) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide
PubChem CID119527590
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(2-amino-2-phenylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide
SMILESNC(CNC(=O)CCN1C(=O)CCc2ccccc21)c1ccccc1
InChIInChI=1S/C20H23N3O2/c21-17(15-6-2-1-3-7-15)14-22-19(24)12-13-23-18-9-5-4-8-16(18)10-11-20(23)25/h1-9,17H,10-14,21H2,(H,22,24)
InChIKeyARBLVELHAGBYTA-UHFFFAOYSA-N
XLogP2.17
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid
CID 119220243
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide;hydrochloride
CID 119526918
methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 28940061
3-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-3-methyl-2-phenylbutyl]propanamide
CID 35009959
N-(2-amino-1-cyclopropylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride
CID 119613182
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide
CID 120944772
N-(2-amino-2-phenylethyl)-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)propanamide
CID 119528784
(2S,3S)-3-methyl-2-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]pentanoic acid
CID 119194377
3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide
CID 24704433
N-[2-(cycloheptylamino)ethyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride
CID 119619374
cis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678518
3-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]phenyl]propanoic acid
CID 119252572

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide (CID 119527590) is N-(2-amino-2-phenylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide is NC(CNC(=O)CCN1C(=O)CCc2ccccc21)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide?
The InChIKey is ARBLVELHAGBYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c21-17(15-6-2-1-3-7-15)14-22-19(24)12-13-23-18-9-5-4-8-16(18)10-11-20(23)25/h1-9,17H,10-14,21H2,(H,22,24).
What are the key properties of N-(2-amino-2-phenylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide?
N-(2-amino-2-phenylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide has a molecular weight of 337.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide is sourced from PubChem (CID 119527590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).