4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide

C17H24N2O3 — CID 120559371

IUPAC4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
SMILESCCOc1cccc2cc(C(C)NC(=O)CCC(C)N)oc12
InChIInChI=1S/C17H24N2O3/c1-4-21-14-7-5-6-13-10-15(22-17(13)14)12(3)19-16(20)9-8-11(2)18/h5-7,10-12H,4,8-9,18H2,1-3H3,(H,19,20)
InChIKeyBUPQNXFCLKGMOR-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.14
Rot. Bonds7

About 4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide

4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide (PubChem CID 120559371) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
PubChem CID120559371
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
SMILESCCOc1cccc2cc(C(C)NC(=O)CCC(C)N)oc12
InChIInChI=1S/C17H24N2O3/c1-4-21-14-7-5-6-13-10-15(22-17(13)14)12(3)19-16(20)9-8-11(2)18/h5-7,10-12H,4,8-9,18H2,1-3H3,(H,19,20)
InChIKeyBUPQNXFCLKGMOR-UHFFFAOYSA-N
XLogP3.14
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 55396325
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273318
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666808
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide
CID 166417291
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
1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119273327
N-[2-[[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 41095730
N-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 17403478
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol
CID 175788600
N-cyclopentyl-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoylamino]propanamide
CID 86831296
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 4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide?
The IUPAC name of 4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide (CID 120559371) is 4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide.
What is the SMILES notation for 4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide?
The canonical SMILES for 4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide is CCOc1cccc2cc(C(C)NC(=O)CCC(C)N)oc12.
What is the InChIKey of 4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide?
The InChIKey is BUPQNXFCLKGMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-21-14-7-5-6-13-10-15(22-17(13)14)12(3)19-16(20)9-8-11(2)18/h5-7,10-12H,4,8-9,18H2,1-3H3,(H,19,20).
What are the key properties of 4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide?
4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide has a molecular weight of 304.39 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide is sourced from PubChem (CID 120559371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).