(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide

C22H23NO5 — CID 9368335

IUPAC(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(OC)c(OC)cc1/C=C/C(=O)N[C@H](C)c1cc2ccccc2o1
InChIInChI=1S/C22H23NO5/c1-14(18-11-15-7-5-6-8-17(15)28-18)23-22(24)10-9-16-12-20(26-3)21(27-4)13-19(16)25-2/h5-14H,1-4H3,(H,23,24)/b10-9+/t14-/m1/s1
InChIKeyRNEJGOMVGJQFAF-ATWMFIQVSA-N
MW381.43 g/mol
LogP4.35
Rot. Bonds7

About (E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 9368335) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is (E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID9368335
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(OC)c(OC)cc1/C=C/C(=O)N[C@H](C)c1cc2ccccc2o1
InChIInChI=1S/C22H23NO5/c1-14(18-11-15-7-5-6-8-17(15)28-18)23-22(24)10-9-16-12-20(26-3)21(27-4)13-19(16)25-2/h5-14H,1-4H3,(H,23,24)/b10-9+/t14-/m1/s1
InChIKeyRNEJGOMVGJQFAF-ATWMFIQVSA-N
XLogP4.35
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 9366370
(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 9368556
(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-phenylprop-2-enamide
CID 9365900
(E)-N-[1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)prop-2-enamide
CID 46612704
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea
CID 41435507
4-[(E)-3-[1-(1-benzofuran-2-yl)ethylamino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 46556383
(E)-N-[1-(1-benzofuran-2-yl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 134047555
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-bromo-4,5-dimethoxyphenyl)acetamide
CID 9368689
N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 26005805
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 42934544
(E)-3-(2-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide
CID 78798391
(E)-N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 9368140

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide (CID 9368335) is (E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(OC)c(OC)cc1/C=C/C(=O)N[C@H](C)c1cc2ccccc2o1.
What is the InChIKey of (E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is RNEJGOMVGJQFAF-ATWMFIQVSA-N. The full InChI is InChI=1S/C22H23NO5/c1-14(18-11-15-7-5-6-8-17(15)28-18)23-22(24)10-9-16-12-20(26-3)21(27-4)13-19(16)25-2/h5-14H,1-4H3,(H,23,24)/b10-9+/t14-/m1/s1.
What are the key properties of (E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 381.43 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 9368335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).