N,N-diethyl-4-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoylamino]benzamide

C24H31N3O2 — CID 95781097

IUPACN,N-diethyl-4-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoylamino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CCN2c3ccccc3CC[C@H]2C)cc1
InChIInChI=1S/C24H31N3O2/c1-4-26(5-2)24(29)20-12-14-21(15-13-20)25-23(28)16-17-27-18(3)10-11-19-8-6-7-9-22(19)27/h6-9,12-15,18H,4-5,10-11,16-17H2,1-3H3,(H,25,28)/t18-/m1/s1
InChIKeyGUVNOFGFABCXBE-GOSISDBHSA-N
MW393.53 g/mol
LogP4.34
Rot. Bonds7

About N,N-diethyl-4-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoylamino]benzamide

N,N-diethyl-4-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoylamino]benzamide (PubChem CID 95781097) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N,N-diethyl-4-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoylamino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoylamino]benzamide
PubChem CID95781097
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN,N-diethyl-4-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoylamino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CCN2c3ccccc3CC[C@H]2C)cc1
InChIInChI=1S/C24H31N3O2/c1-4-26(5-2)24(29)20-12-14-21(15-13-20)25-23(28)16-17-27-18(3)10-11-19-8-6-7-9-22(19)27/h6-9,12-15,18H,4-5,10-11,16-17H2,1-3H3,(H,25,28)/t18-/m1/s1
InChIKeyGUVNOFGFABCXBE-GOSISDBHSA-N
XLogP4.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride
CID 119422356
N-(4-ethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
CID 109036323
N-(4-methoxyphenyl)-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 8724702
6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one
CID 106801125
2-[2-(dimethylamino)ethyl-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoyl]amino]acetic acid
CID 124689456
N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide
CID 17196837
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 111539101
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260498
3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 71998225
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanamide
CID 96568264
N-(3-chloro-4-cyanophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
CID 55482360
3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
CID 126783506

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoylamino]benzamide?
The IUPAC name of N,N-diethyl-4-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoylamino]benzamide (CID 95781097) is N,N-diethyl-4-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoylamino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoylamino]benzamide?
The canonical SMILES for N,N-diethyl-4-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoylamino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)CCN2c3ccccc3CC[C@H]2C)cc1.
What is the InChIKey of N,N-diethyl-4-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoylamino]benzamide?
The InChIKey is GUVNOFGFABCXBE-GOSISDBHSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-4-26(5-2)24(29)20-12-14-21(15-13-20)25-23(28)16-17-27-18(3)10-11-19-8-6-7-9-22(19)27/h6-9,12-15,18H,4-5,10-11,16-17H2,1-3H3,(H,25,28)/t18-/m1/s1.
What are the key properties of N,N-diethyl-4-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoylamino]benzamide?
N,N-diethyl-4-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoylamino]benzamide has a molecular weight of 393.53 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoylamino]benzamide is sourced from PubChem (CID 95781097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).