1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[[(1R,3R)-3-hydroxycyclopentyl]methyl]urea

C19H26N2O4 — CID 129429535

IUPAC1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[[(1R,3R)-3-hydroxycyclopentyl]methyl]urea
SMILESCCOc1cccc2cc([C@H](C)NC(=O)NC[C@@H]3CC[C@@H](O)C3)oc12
InChIInChI=1S/C19H26N2O4/c1-3-24-16-6-4-5-14-10-17(25-18(14)16)12(2)21-19(23)20-11-13-7-8-15(22)9-13/h4-6,10,12-13,15,22H,3,7-9,11H2,1-2H3,(H2,20,21,23)/t12-,13+,15+/m0/s1
InChIKeyFDZBXGPWRLQNMP-GZBFAFLISA-N
MW346.43 g/mol
LogP3.35
Rot. Bonds6

About 1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[[(1R,3R)-3-hydroxycyclopentyl]methyl]urea

1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[[(1R,3R)-3-hydroxycyclopentyl]methyl]urea (PubChem CID 129429535) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[[(1R,3R)-3-hydroxycyclopentyl]methyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[[(1R,3R)-3-hydroxycyclopentyl]methyl]urea
PubChem CID129429535
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[[(1R,3R)-3-hydroxycyclopentyl]methyl]urea
SMILESCCOc1cccc2cc([C@H](C)NC(=O)NC[C@@H]3CC[C@@H](O)C3)oc12
InChIInChI=1S/C19H26N2O4/c1-3-24-16-6-4-5-14-10-17(25-18(14)16)12(2)21-19(23)20-11-13-7-8-15(22)9-13/h4-6,10,12-13,15,22H,3,7-9,11H2,1-2H3,(H2,20,21,23)/t12-,13+,15+/m0/s1
InChIKeyFDZBXGPWRLQNMP-GZBFAFLISA-N
XLogP3.35
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[[(1R,3R)-3-hydroxycyclopentyl]methyl]urea with MolForge

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Related Compounds

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
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide
CID 55396253
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-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86841700
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
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 78879968
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 55743916

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[[(1R,3R)-3-hydroxycyclopentyl]methyl]urea?
The IUPAC name of 1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[[(1R,3R)-3-hydroxycyclopentyl]methyl]urea (CID 129429535) is 1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[[(1R,3R)-3-hydroxycyclopentyl]methyl]urea.
What is the SMILES notation for 1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[[(1R,3R)-3-hydroxycyclopentyl]methyl]urea?
The canonical SMILES for 1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[[(1R,3R)-3-hydroxycyclopentyl]methyl]urea is CCOc1cccc2cc([C@H](C)NC(=O)NC[C@@H]3CC[C@@H](O)C3)oc12.
What is the InChIKey of 1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[[(1R,3R)-3-hydroxycyclopentyl]methyl]urea?
The InChIKey is FDZBXGPWRLQNMP-GZBFAFLISA-N. The full InChI is InChI=1S/C19H26N2O4/c1-3-24-16-6-4-5-14-10-17(25-18(14)16)12(2)21-19(23)20-11-13-7-8-15(22)9-13/h4-6,10,12-13,15,22H,3,7-9,11H2,1-2H3,(H2,20,21,23)/t12-,13+,15+/m0/s1.
What are the key properties of 1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[[(1R,3R)-3-hydroxycyclopentyl]methyl]urea?
1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[[(1R,3R)-3-hydroxycyclopentyl]methyl]urea has a molecular weight of 346.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[[(1R,3R)-3-hydroxycyclopentyl]methyl]urea is sourced from PubChem (CID 129429535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).