N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2H-benzotriazole-5-carboxamide

C19H18N4O3 — CID 39968255

IUPACN-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
SMILESCCOc1cccc2cc([C@@H](C)NC(=O)c3ccc4n[nH]nc4c3)oc12
InChIInChI=1S/C19H18N4O3/c1-3-25-16-6-4-5-12-10-17(26-18(12)16)11(2)20-19(24)13-7-8-14-15(9-13)22-23-21-14/h4-11H,3H2,1-2H3,(H,20,24)(H,21,22,23)/t11-/m1/s1
InChIKeySASYPRBKBHKTOE-LLVKDONJSA-N
MW350.38 g/mol
LogP3.59
Rot. Bonds5

About N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2H-benzotriazole-5-carboxamide

N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2H-benzotriazole-5-carboxamide (PubChem CID 39968255) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
PubChem CID39968255
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
SMILESCCOc1cccc2cc([C@@H](C)NC(=O)c3ccc4n[nH]nc4c3)oc12
InChIInChI=1S/C19H18N4O3/c1-3-25-16-6-4-5-12-10-17(26-18(12)16)11(2)20-19(24)13-7-8-14-15(9-13)22-23-21-14/h4-11H,3H2,1-2H3,(H,20,24)(H,21,22,23)/t11-/m1/s1
InChIKeySASYPRBKBHKTOE-LLVKDONJSA-N
XLogP3.59
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methoxybenzamide
CID 60607084
N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 97237661
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55397690
4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
CID 120559371
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide
CID 166417291
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 55396325
2-bromo-N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-fluorobenzamide
CID 25468831
ethyl 6-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylate
CID 55633376
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide
CID 119273307
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 18282452
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol
CID 175788600
2-(2-aminoethyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618711

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2H-benzotriazole-5-carboxamide (CID 39968255) is N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2H-benzotriazole-5-carboxamide is CCOc1cccc2cc([C@@H](C)NC(=O)c3ccc4n[nH]nc4c3)oc12.
What is the InChIKey of N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is SASYPRBKBHKTOE-LLVKDONJSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-3-25-16-6-4-5-12-10-17(26-18(12)16)11(2)20-19(24)13-7-8-14-15(9-13)22-23-21-14/h4-11H,3H2,1-2H3,(H,20,24)(H,21,22,23)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2H-benzotriazole-5-carboxamide?
N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 39968255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).