1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(1-piperidin-1-ylpropan-2-yl)urea

C21H31N3O3 — CID 78879968

IUPAC1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(1-piperidin-1-ylpropan-2-yl)urea
SMILESCCOc1cccc2cc(C(C)NC(=O)NC(C)CN3CCCCC3)oc12
InChIInChI=1S/C21H31N3O3/c1-4-26-18-10-8-9-17-13-19(27-20(17)18)16(3)23-21(25)22-15(2)14-24-11-6-5-7-12-24/h8-10,13,15-16H,4-7,11-12,14H2,1-3H3,(H2,22,23,25)
InChIKeyZOBGAQBSIDBGPI-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.07
Rot. Bonds7

About 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(1-piperidin-1-ylpropan-2-yl)urea

1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(1-piperidin-1-ylpropan-2-yl)urea (PubChem CID 78879968) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(1-piperidin-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(1-piperidin-1-ylpropan-2-yl)urea
PubChem CID78879968
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(1-piperidin-1-ylpropan-2-yl)urea
SMILESCCOc1cccc2cc(C(C)NC(=O)NC(C)CN3CCCCC3)oc12
InChIInChI=1S/C21H31N3O3/c1-4-26-18-10-8-9-17-13-19(27-20(17)18)16(3)23-21(25)22-15(2)14-24-11-6-5-7-12-24/h8-10,13,15-16H,4-7,11-12,14H2,1-3H3,(H2,22,23,25)
InChIKeyZOBGAQBSIDBGPI-UHFFFAOYSA-N
XLogP4.07
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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
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
N-cyclopentyl-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoylamino]propanamide
CID 86831296
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
1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 39972995
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]-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 136539624
1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[[(1R,3R)-3-hydroxycyclopentyl]methyl]urea
CID 129429535

Frequently Asked Questions

What is the IUPAC name of 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(1-piperidin-1-ylpropan-2-yl)urea?
The IUPAC name of 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(1-piperidin-1-ylpropan-2-yl)urea (CID 78879968) is 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(1-piperidin-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(1-piperidin-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(1-piperidin-1-ylpropan-2-yl)urea is CCOc1cccc2cc(C(C)NC(=O)NC(C)CN3CCCCC3)oc12.
What is the InChIKey of 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(1-piperidin-1-ylpropan-2-yl)urea?
The InChIKey is ZOBGAQBSIDBGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-4-26-18-10-8-9-17-13-19(27-20(17)18)16(3)23-21(25)22-15(2)14-24-11-6-5-7-12-24/h8-10,13,15-16H,4-7,11-12,14H2,1-3H3,(H2,22,23,25).
What are the key properties of 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(1-piperidin-1-ylpropan-2-yl)urea?
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(1-piperidin-1-ylpropan-2-yl)urea has a molecular weight of 373.50 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(1-piperidin-1-ylpropan-2-yl)urea is sourced from PubChem (CID 78879968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).