N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-5,6,7,8-tetrahydroquinoline-3-carboxamide

C20H24N2O2 — CID 99936498

IUPACN-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCN(CC[C@@H](O)c1ccccc1)C(=O)c1cnc2c(c1)CCCC2
InChIInChI=1S/C20H24N2O2/c1-22(12-11-19(23)15-7-3-2-4-8-15)20(24)17-13-16-9-5-6-10-18(16)21-14-17/h2-4,7-8,13-14,19,23H,5-6,9-12H2,1H3/t19-/m1/s1
InChIKeyGDAVANCEHATWBZ-LJQANCHMSA-N
MW324.42 g/mol
LogP3.16
Rot. Bonds5

About N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-5,6,7,8-tetrahydroquinoline-3-carboxamide

N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 99936498) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID99936498
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCN(CC[C@@H](O)c1ccccc1)C(=O)c1cnc2c(c1)CCCC2
InChIInChI=1S/C20H24N2O2/c1-22(12-11-19(23)15-7-3-2-4-8-15)20(24)17-13-16-9-5-6-10-18(16)21-14-17/h2-4,7-8,13-14,19,23H,5-6,9-12H2,1H3/t19-/m1/s1
InChIKeyGDAVANCEHATWBZ-LJQANCHMSA-N
XLogP3.16
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide
CID 59648964
N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
CID 97118561
ethyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate
CID 19753336
N-[(3R)-3-hydroxy-3-phenylpropyl]-N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 95119417
N-carbamimidoyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide
CID 141148650
N-[(3S)-3-hydroxy-3-phenylpropyl]-N,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 95128171
(1S)-3-[[6-(dimethylamino)-3-pyridinyl]methyl-methylamino]-1-phenylpropan-1-ol
CID 99957750
N-(3-hydroxy-3-phenylpropyl)-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 46996324
N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
CID 97119846
N-cycloheptyl-2-[(3-hydroxy-3-phenylpropyl)-methylamino]acetamide
CID 91835840
3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol
CID 62612269
N-(2-hydroxyethyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60740767

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 99936498) is N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-5,6,7,8-tetrahydroquinoline-3-carboxamide is CN(CC[C@@H](O)c1ccccc1)C(=O)c1cnc2c(c1)CCCC2.
What is the InChIKey of N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is GDAVANCEHATWBZ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-22(12-11-19(23)15-7-3-2-4-8-15)20(24)17-13-16-9-5-6-10-18(16)21-14-17/h2-4,7-8,13-14,19,23H,5-6,9-12H2,1H3/t19-/m1/s1.
What are the key properties of N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-5,6,7,8-tetrahydroquinoline-3-carboxamide?
N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 99936498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).