N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide

C23H29NO3 — CID 55396253

IUPACN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide
SMILESCCOc1cccc2cc(C(C)NC(=O)C34CC5CC(CC(C5)C3)C4)oc12
InChIInChI=1S/C23H29NO3/c1-3-26-19-6-4-5-18-10-20(27-21(18)19)14(2)24-22(25)23-11-15-7-16(12-23)9-17(8-15)13-23/h4-6,10,14-17H,3,7-9,11-13H2,1-2H3,(H,24,25)
InChIKeyJSQDHZGLXVOIQV-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.23
Rot. Bonds5

About N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide

N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide (PubChem CID 55396253) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide
PubChem CID55396253
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC NameN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide
SMILESCCOc1cccc2cc(C(C)NC(=O)C34CC5CC(CC(C5)C3)C4)oc12
InChIInChI=1S/C23H29NO3/c1-3-26-19-6-4-5-18-10-20(27-21(18)19)14(2)24-22(25)23-11-15-7-16(12-23)9-17(8-15)13-23/h4-6,10,14-17H,3,7-9,11-13H2,1-2H3,(H,24,25)
InChIKeyJSQDHZGLXVOIQV-UHFFFAOYSA-N
XLogP5.23
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119273327
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015116
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide
CID 119273307
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]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 55396331
1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[[(1R,3R)-3-hydroxycyclopentyl]methyl]urea
CID 129429535
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273318
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-nitrophenyl)acetamide
CID 51214021
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methoxybenzamide
CID 60607084
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666808
N-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 17403478

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide (CID 55396253) is N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide is CCOc1cccc2cc(C(C)NC(=O)C34CC5CC(CC(C5)C3)C4)oc12.
What is the InChIKey of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide?
The InChIKey is JSQDHZGLXVOIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-3-26-19-6-4-5-18-10-20(27-21(18)19)14(2)24-22(25)23-11-15-7-16(12-23)9-17(8-15)13-23/h4-6,10,14-17H,3,7-9,11-13H2,1-2H3,(H,24,25).
What are the key properties of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide?
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 55396253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).