N-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-propan-2-ylbenzamide

C22H26N2O2 — CID 95091917

IUPACN-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)N[C@H](C)C(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C22H26N2O2/c1-15(2)17-10-12-19(13-11-17)21(25)23-16(3)22(26)24-14-6-8-18-7-4-5-9-20(18)24/h4-5,7,9-13,15-16H,6,8,14H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyZDTRAXXSQMUYOS-MRXNPFEDSA-N
MW350.46 g/mol
LogP3.91
Rot. Bonds4

About N-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-propan-2-ylbenzamide

N-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-propan-2-ylbenzamide (PubChem CID 95091917) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-propan-2-ylbenzamide
PubChem CID95091917
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)N[C@H](C)C(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C22H26N2O2/c1-15(2)17-10-12-19(13-11-17)21(25)23-16(3)22(26)24-14-6-8-18-7-4-5-9-20(18)24/h4-5,7,9-13,15-16H,6,8,14H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyZDTRAXXSQMUYOS-MRXNPFEDSA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-propan-2-ylbenzamide with MolForge

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Related Compounds

4-bromo-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide
CID 53037123
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 70362593
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea
CID 47097542
N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2-methylbenzamide
CID 53037121
N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzamide
CID 95056727
4-chloro-N-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide
CID 112762141
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840833
2-(2-bromophenyl)-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]acetamide
CID 53125880
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-4-ethoxybenzamide
CID 95092000
[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] (2R)-2-[(3-methylbenzoyl)amino]propanoate
CID 25482566
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-propan-2-ylbenzamide (CID 95091917) is N-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)N[C@H](C)C(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of N-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-propan-2-ylbenzamide?
The InChIKey is ZDTRAXXSQMUYOS-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15(2)17-10-12-19(13-11-17)21(25)23-16(3)22(26)24-14-6-8-18-7-4-5-9-20(18)24/h4-5,7,9-13,15-16H,6,8,14H2,1-3H3,(H,23,25)/t16-/m1/s1.
What are the key properties of N-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-propan-2-ylbenzamide?
N-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-propan-2-ylbenzamide has a molecular weight of 350.46 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 95091917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).