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

C19H26N2O3 — CID 119273327

IUPAC1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESCCOc1cccc2cc(C(C)NC(=O)C3(N)CCCCC3)oc12
InChIInChI=1S/C19H26N2O3/c1-3-23-15-9-7-8-14-12-16(24-17(14)15)13(2)21-18(22)19(20)10-5-4-6-11-19/h7-9,12-13H,3-6,10-11,20H2,1-2H3,(H,21,22)
InChIKeyOYCHHCDSXBXICL-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.67
Rot. Bonds5

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

1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 119273327) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID119273327
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESCCOc1cccc2cc(C(C)NC(=O)C3(N)CCCCC3)oc12
InChIInChI=1S/C19H26N2O3/c1-3-23-15-9-7-8-14-12-16(24-17(14)15)13(2)21-18(22)19(20)10-5-4-6-11-19/h7-9,12-13H,3-6,10-11,20H2,1-2H3,(H,21,22)
InChIKeyOYCHHCDSXBXICL-UHFFFAOYSA-N
XLogP3.67
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide
CID 55396253
4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
CID 120559371
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015116
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methoxybenzamide
CID 60607084
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide
CID 166417291
N-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 17403478
N-[2-[[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 41095730
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 78879968
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 55396331
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide
CID 119273307
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273318
(3R)-1-N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide
CID 94039986

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide (CID 119273327) is 1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide is CCOc1cccc2cc(C(C)NC(=O)C3(N)CCCCC3)oc12.
What is the InChIKey of 1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is OYCHHCDSXBXICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-3-23-15-9-7-8-14-12-16(24-17(14)15)13(2)21-18(22)19(20)10-5-4-6-11-19/h7-9,12-13H,3-6,10-11,20H2,1-2H3,(H,21,22).
What are the key properties of 1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide?
1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119273327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).