(2R)-5-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide

C19H22N2O2 — CID 11347429

IUPAC(2R)-5-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESCOc1cccc2c1CC[C@H](C(=O)N[C@@H](C)c1ccccc1)N2
InChIInChI=1S/C19H22N2O2/c1-13(14-7-4-3-5-8-14)20-19(22)17-12-11-15-16(21-17)9-6-10-18(15)23-2/h3-10,13,17,21H,11-12H2,1-2H3,(H,20,22)/t13-,17+/m0/s1
InChIKeyZPHWMKIDPFMTDZ-SUMWQHHRSA-N
MW310.40 g/mol
LogP3.30
Rot. Bonds4

About (2R)-5-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide

(2R)-5-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide (PubChem CID 11347429) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2R)-5-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide.

Molecular Properties

Compound Name(2R)-5-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
PubChem CID11347429
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2R)-5-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESCOc1cccc2c1CC[C@H](C(=O)N[C@@H](C)c1ccccc1)N2
InChIInChI=1S/C19H22N2O2/c1-13(14-7-4-3-5-8-14)20-19(22)17-12-11-15-16(21-17)9-6-10-18(15)23-2/h3-10,13,17,21H,11-12H2,1-2H3,(H,20,22)/t13-,17+/m0/s1
InChIKeyZPHWMKIDPFMTDZ-SUMWQHHRSA-N
XLogP3.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-6-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 11358808
5-methoxy-N-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 73455275
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
(2R)-5-oxo-N-[(1R)-1-(2-phenoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 95324386
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
4-methoxy-N-(1-phenylethyl)pyrrolidine-2-carboxamide
CID 61214153
N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 24705995
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687
4-oxo-N-(1-phenylethyl)azepane-2-carboxamide
CID 69030243
(2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81387712
(2S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81353032

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The IUPAC name of (2R)-5-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide (CID 11347429) is (2R)-5-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide.
What is the SMILES notation for (2R)-5-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The canonical SMILES for (2R)-5-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide is COc1cccc2c1CC[C@H](C(=O)N[C@@H](C)c1ccccc1)N2.
What is the InChIKey of (2R)-5-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The InChIKey is ZPHWMKIDPFMTDZ-SUMWQHHRSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13(14-7-4-3-5-8-14)20-19(22)17-12-11-15-16(21-17)9-6-10-18(15)23-2/h3-10,13,17,21H,11-12H2,1-2H3,(H,20,22)/t13-,17+/m0/s1.
What are the key properties of (2R)-5-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
(2R)-5-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide is sourced from PubChem (CID 11347429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).