N-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide

C21H28N2O4 — CID 17403478

IUPACN-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCCOc1cccc2cc(C(C)NC(=O)CNC(=O)C3CCCCC3)oc12
InChIInChI=1S/C21H28N2O4/c1-3-26-17-11-7-10-16-12-18(27-20(16)17)14(2)23-19(24)13-22-21(25)15-8-5-4-6-9-15/h7,10-12,14-15H,3-6,8-9,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyHDMVVYIMQGEZSU-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.71
Rot. Bonds7

About N-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 17403478) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID17403478
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCCOc1cccc2cc(C(C)NC(=O)CNC(=O)C3CCCCC3)oc12
InChIInChI=1S/C21H28N2O4/c1-3-26-17-11-7-10-16-12-18(27-20(16)17)14(2)23-19(24)13-22-21(25)15-8-5-4-6-9-15/h7,10-12,14-15H,3-6,8-9,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyHDMVVYIMQGEZSU-UHFFFAOYSA-N
XLogP3.71
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 41095730
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide
CID 119273307
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015116
N-cyclopentyl-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoylamino]propanamide
CID 86831296
4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
CID 120559371
tert-butyl 2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 55396395
(3R)-1-N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide
CID 94039986
1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119273327
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 78879968
1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[[(1R,3R)-3-hydroxycyclopentyl]methyl]urea
CID 129429535
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55633786
N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 8000352

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide (CID 17403478) is N-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide is CCOc1cccc2cc(C(C)NC(=O)CNC(=O)C3CCCCC3)oc12.
What is the InChIKey of N-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is HDMVVYIMQGEZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-3-26-17-11-7-10-16-12-18(27-20(16)17)14(2)23-19(24)13-22-21(25)15-8-5-4-6-9-15/h7,10-12,14-15H,3-6,8-9,13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 17403478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).