(2S)-N-[(2S)-butan-2-yl]-2-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylcarbamoylamino]propanamide

C19H30N4O2 — CID 124839666

IUPAC(2S)-N-[(2S)-butan-2-yl]-2-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylcarbamoylamino]propanamide
SMILESCC[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H]1CCN(C)c2ccccc21
InChIInChI=1S/C19H30N4O2/c1-5-13(2)21-18(24)14(3)22-19(25)20-12-15-10-11-23(4)17-9-7-6-8-16(15)17/h6-9,13-15H,5,10-12H2,1-4H3,(H,21,24)(H2,20,22,25)/t13-,14-,15+/m0/s1
InChIKeyXNLIPPCEUPUNLD-SOUVJXGZSA-N
MW346.48 g/mol
LogP2.21
Rot. Bonds6

About (2S)-N-[(2S)-butan-2-yl]-2-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylcarbamoylamino]propanamide

(2S)-N-[(2S)-butan-2-yl]-2-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylcarbamoylamino]propanamide (PubChem CID 124839666) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (2S)-N-[(2S)-butan-2-yl]-2-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylcarbamoylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-butan-2-yl]-2-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylcarbamoylamino]propanamide
PubChem CID124839666
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name(2S)-N-[(2S)-butan-2-yl]-2-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylcarbamoylamino]propanamide
SMILESCC[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H]1CCN(C)c2ccccc21
InChIInChI=1S/C19H30N4O2/c1-5-13(2)21-18(24)14(3)22-19(25)20-12-15-10-11-23(4)17-9-7-6-8-16(15)17/h6-9,13-15H,5,10-12H2,1-4H3,(H,21,24)(H2,20,22,25)/t13-,14-,15+/m0/s1
InChIKeyXNLIPPCEUPUNLD-SOUVJXGZSA-N
XLogP2.21
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
CID 52516273
1-[(3-hydroxycyclopentyl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea
CID 102562629
N-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 94637916
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea
CID 47866062
N-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride
CID 175798453
methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate
CID 115031353
N-methyl-N-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methylamino]-2-oxoethyl]prop-2-enamide
CID 167925297
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-3-carboxylic acid
CID 80564305
N-benzyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine
CID 126827020
N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)propanamide
CID 110751361
N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091886
N-butan-2-yl-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide
CID 119756291

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-butan-2-yl]-2-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylcarbamoylamino]propanamide?
The IUPAC name of (2S)-N-[(2S)-butan-2-yl]-2-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylcarbamoylamino]propanamide (CID 124839666) is (2S)-N-[(2S)-butan-2-yl]-2-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylcarbamoylamino]propanamide.
What is the SMILES notation for (2S)-N-[(2S)-butan-2-yl]-2-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylcarbamoylamino]propanamide?
The canonical SMILES for (2S)-N-[(2S)-butan-2-yl]-2-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylcarbamoylamino]propanamide is CC[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H]1CCN(C)c2ccccc21.
What is the InChIKey of (2S)-N-[(2S)-butan-2-yl]-2-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylcarbamoylamino]propanamide?
The InChIKey is XNLIPPCEUPUNLD-SOUVJXGZSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-5-13(2)21-18(24)14(3)22-19(25)20-12-15-10-11-23(4)17-9-7-6-8-16(15)17/h6-9,13-15H,5,10-12H2,1-4H3,(H,21,24)(H2,20,22,25)/t13-,14-,15+/m0/s1.
What are the key properties of (2S)-N-[(2S)-butan-2-yl]-2-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylcarbamoylamino]propanamide?
(2S)-N-[(2S)-butan-2-yl]-2-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylcarbamoylamino]propanamide has a molecular weight of 346.48 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-butan-2-yl]-2-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylcarbamoylamino]propanamide is sourced from PubChem (CID 124839666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).