(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-phenylprop-2-enamide

C19H17NO2 — CID 9365900

IUPAC(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-phenylprop-2-enamide
SMILESC[C@@H](NC(=O)/C=C/c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C19H17NO2/c1-14(18-13-16-9-5-6-10-17(16)22-18)20-19(21)12-11-15-7-3-2-4-8-15/h2-14H,1H3,(H,20,21)/b12-11+/t14-/m1/s1
InChIKeyKFQCYMRJZKDFSG-GCZGRYASSA-N
MW291.35 g/mol
LogP4.32
Rot. Bonds4

About (E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-phenylprop-2-enamide

(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 9365900) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID9365900
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-phenylprop-2-enamide
SMILESC[C@@H](NC(=O)/C=C/c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C19H17NO2/c1-14(18-13-16-9-5-6-10-17(16)22-18)20-19(21)12-11-15-7-3-2-4-8-15/h2-14H,1H3,(H,20,21)/b12-11+/t14-/m1/s1
InChIKeyKFQCYMRJZKDFSG-GCZGRYASSA-N
XLogP4.32
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)prop-2-enamide
CID 46612704
(E)-N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 9368140
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
(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 9368335
(E)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enamide
CID 9368536
(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 9366370
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
(E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide
CID 8856139
(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 9368556
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-phenylprop-2-enamide (CID 9365900) is (E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-phenylprop-2-enamide is C[C@@H](NC(=O)/C=C/c1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of (E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is KFQCYMRJZKDFSG-GCZGRYASSA-N. The full InChI is InChI=1S/C19H17NO2/c1-14(18-13-16-9-5-6-10-17(16)22-18)20-19(21)12-11-15-7-3-2-4-8-15/h2-14H,1H3,(H,20,21)/b12-11+/t14-/m1/s1.
What are the key properties of (E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-phenylprop-2-enamide?
(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 291.35 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 9365900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).