N-[(1R)-1-phenylethyl]-3-(quinolin-4-ylmethyl)benzamide

C25H22N2O — CID 167547150

IUPACN-[(1R)-1-phenylethyl]-3-(quinolin-4-ylmethyl)benzamide
SMILESC[C@@H](NC(=O)c1cccc(Cc2ccnc3ccccc23)c1)c1ccccc1
InChIInChI=1S/C25H22N2O/c1-18(20-9-3-2-4-10-20)27-25(28)22-11-7-8-19(17-22)16-21-14-15-26-24-13-6-5-12-23(21)24/h2-15,17-18H,16H2,1H3,(H,27,28)/t18-/m1/s1
InChIKeyBXYIPFLCFVQERK-GOSISDBHSA-N
MW366.46 g/mol
LogP5.32
Rot. Bonds5

About N-[(1R)-1-phenylethyl]-3-(quinolin-4-ylmethyl)benzamide

N-[(1R)-1-phenylethyl]-3-(quinolin-4-ylmethyl)benzamide (PubChem CID 167547150) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-3-(quinolin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-3-(quinolin-4-ylmethyl)benzamide
PubChem CID167547150
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC NameN-[(1R)-1-phenylethyl]-3-(quinolin-4-ylmethyl)benzamide
SMILESC[C@@H](NC(=O)c1cccc(Cc2ccnc3ccccc23)c1)c1ccccc1
InChIInChI=1S/C25H22N2O/c1-18(20-9-3-2-4-10-20)27-25(28)22-11-7-8-19(17-22)16-21-14-15-26-24-13-6-5-12-23(21)24/h2-15,17-18H,16H2,1H3,(H,27,28)/t18-/m1/s1
InChIKeyBXYIPFLCFVQERK-GOSISDBHSA-N
XLogP5.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide
CID 107863937
2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 114326595
N-(1-phenylethyl)-3-pyrimidin-2-yloxybenzamide
CID 70703950
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 115730036
2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 113233055
3-(chloromethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 81403974
3-N-[(1S)-1-phenylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide
CID 10958899
1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051451
3-(2-phenoxyethoxy)-N-(1-phenylethyl)benzamide
CID 4954951
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051265
2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109165889

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-3-(quinolin-4-ylmethyl)benzamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-3-(quinolin-4-ylmethyl)benzamide (CID 167547150) is N-[(1R)-1-phenylethyl]-3-(quinolin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-3-(quinolin-4-ylmethyl)benzamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-3-(quinolin-4-ylmethyl)benzamide is C[C@@H](NC(=O)c1cccc(Cc2ccnc3ccccc23)c1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-3-(quinolin-4-ylmethyl)benzamide?
The InChIKey is BXYIPFLCFVQERK-GOSISDBHSA-N. The full InChI is InChI=1S/C25H22N2O/c1-18(20-9-3-2-4-10-20)27-25(28)22-11-7-8-19(17-22)16-21-14-15-26-24-13-6-5-12-23(21)24/h2-15,17-18H,16H2,1H3,(H,27,28)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-3-(quinolin-4-ylmethyl)benzamide?
N-[(1R)-1-phenylethyl]-3-(quinolin-4-ylmethyl)benzamide has a molecular weight of 366.46 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-3-(quinolin-4-ylmethyl)benzamide is sourced from PubChem (CID 167547150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).