2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

C23H26N4O4 — CID 118929847

IUPAC2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCOc1cc(-c2nnc(C)o2)ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C23H26N4O4/c1-3-30-21-11-16(23-27-26-14(2)31-23)8-9-18(21)22(29)25-13-20(28)19-10-15-6-4-5-7-17(15)12-24-19/h4-9,11,19-20,24,28H,3,10,12-13H2,1-2H3,(H,25,29)/t19-,20+/m0/s1
InChIKeyMQYQZQUWMJYNGF-VQTJNVASSA-N
MW422.49 g/mol
LogP2.25
Rot. Bonds7

About 2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 118929847) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID118929847
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCOc1cc(-c2nnc(C)o2)ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C23H26N4O4/c1-3-30-21-11-16(23-27-26-14(2)31-23)8-9-18(21)22(29)25-13-20(28)19-10-15-6-4-5-7-17(15)12-24-19/h4-9,11,19-20,24,28H,3,10,12-13H2,1-2H3,(H,25,29)/t19-,20+/m0/s1
InChIKeyMQYQZQUWMJYNGF-VQTJNVASSA-N
XLogP2.25
TPSA109.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide with MolForge

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Related Compounds

2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 130405981
2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl)benzamide
CID 130429482
2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-6-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl)benzamide
CID 118930015
2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 130421274
6-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2-(2-methylpropyl)-1-oxo-3H-isoindole-5-carboxamide;hydrochloride
CID 175165399
6-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2-(2-methylpropyl)-1-oxo-3H-isoindole-5-carboxamide;hydrochloride
CID 175165401
2-(2,2-dimethylpropyl)-6-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-1-oxo-3H-isoindole-5-carboxamide;hydrochloride
CID 175172775
6-(4-acetylpiperazin-1-yl)-2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide
CID 155130966
6-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2-(oxan-4-ylmethyl)-1-oxo-3H-isoindole-5-carboxamide;hydrochloride
CID 175177266
N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2-(trifluoromethoxy)benzamide
CID 118929837
6-ethoxy-N-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-1-oxo-2-(2-phenylethyl)-3H-isoindole-5-carboxamide;hydrochloride
CID 175170403
2-benzyl-7-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-1-oxo-3,4-dihydroisoquinoline-6-carboxamide;hydrochloride
CID 175172808

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (CID 118929847) is 2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is CCOc1cc(-c2nnc(C)o2)ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1.
What is the InChIKey of 2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is MQYQZQUWMJYNGF-VQTJNVASSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-3-30-21-11-16(23-27-26-14(2)31-23)8-9-18(21)22(29)25-13-20(28)19-10-15-6-4-5-7-17(15)12-24-19/h4-9,11,19-20,24,28H,3,10,12-13H2,1-2H3,(H,25,29)/t19-,20+/m0/s1.
What are the key properties of 2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 422.49 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 118929847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).