1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea

C20H22N2O4 — CID 39972995

IUPAC1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea
SMILESCCOc1cccc2cc([C@H](C)NC(=O)Nc3ccccc3OC)oc12
InChIInChI=1S/C20H22N2O4/c1-4-25-17-11-7-8-14-12-18(26-19(14)17)13(2)21-20(23)22-15-9-5-6-10-16(15)24-3/h5-13H,4H2,1-3H3,(H2,21,22,23)/t13-/m0/s1
InChIKeyPFBDWZKGIHIZJJ-ZDUSSCGKSA-N
MW354.41 g/mol
LogP4.72
Rot. Bonds6

About 1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea

1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea (PubChem CID 39972995) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea
PubChem CID39972995
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea
SMILESCCOc1cccc2cc([C@H](C)NC(=O)Nc3ccccc3OC)oc12
InChIInChI=1S/C20H22N2O4/c1-4-25-17-11-7-8-14-12-18(26-19(14)17)13(2)21-20(23)22-15-9-5-6-10-16(15)24-3/h5-13H,4H2,1-3H3,(H2,21,22,23)/t13-/m0/s1
InChIKeyPFBDWZKGIHIZJJ-ZDUSSCGKSA-N
XLogP4.72
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methoxybenzamide
CID 60607084
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273318
1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 133204349
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
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666808
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)ethylamino]ethanol
CID 175788600
8-ethoxy-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
CID 19573961
N-cyclopentyl-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoylamino]propanamide
CID 86831296
1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[[(1R,3R)-3-hydroxycyclopentyl]methyl]urea
CID 129429535
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86841700

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea (CID 39972995) is 1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea is CCOc1cccc2cc([C@H](C)NC(=O)Nc3ccccc3OC)oc12.
What is the InChIKey of 1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea?
The InChIKey is PFBDWZKGIHIZJJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-4-25-17-11-7-8-14-12-18(26-19(14)17)13(2)21-20(23)22-15-9-5-6-10-16(15)24-3/h5-13H,4H2,1-3H3,(H2,21,22,23)/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea?
1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea has a molecular weight of 354.41 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 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-(2-methoxyphenyl)urea is sourced from PubChem (CID 39972995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).