(E)-N-[(2-methoxyphenyl)methyl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide

C19H21NO3 — CID 27017551

IUPAC(E)-N-[(2-methoxyphenyl)methyl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
SMILESCOc1ccccc1CNC(=O)/C=C/c1ccc([C@H]2C[C@@H]2C)o1
InChIInChI=1S/C19H21NO3/c1-13-11-16(13)18-9-7-15(23-18)8-10-19(21)20-12-14-5-3-4-6-17(14)22-2/h3-10,13,16H,11-12H2,1-2H3,(H,20,21)/b10-8+/t13-,16-/m0/s1
InChIKeySGIJDGOUBUOBKR-PMENNHOYSA-N
MW311.38 g/mol
LogP3.74
Rot. Bonds6

About (E)-N-[(2-methoxyphenyl)methyl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide

(E)-N-[(2-methoxyphenyl)methyl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide (PubChem CID 27017551) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (E)-N-[(2-methoxyphenyl)methyl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2-methoxyphenyl)methyl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
PubChem CID27017551
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(E)-N-[(2-methoxyphenyl)methyl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
SMILESCOc1ccccc1CNC(=O)/C=C/c1ccc([C@H]2C[C@@H]2C)o1
InChIInChI=1S/C19H21NO3/c1-13-11-16(13)18-9-7-15(23-18)8-10-19(21)20-12-14-5-3-4-6-17(14)22-2/h3-10,13,16H,11-12H2,1-2H3,(H,20,21)/b10-8+/t13-,16-/m0/s1
InChIKeySGIJDGOUBUOBKR-PMENNHOYSA-N
XLogP3.74
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[(2-methoxyphenyl)methyl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 129421507
(E)-N-[(4-fluorophenyl)methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 43034838
(E)-N-[2-(2-methoxyphenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 26778092
(Z)-4-[(2-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid
CID 45100336
(E)-3-(5-bromo-1-benzofuran-2-yl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 51370775
(E)-N-[(2-methoxyphenyl)methyl]-3-thiophen-3-ylprop-2-enamide
CID 9114802
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 103599760
(E)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 124834120
(E)-3-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 115342604
3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 4796977
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]prop-2-enamide
CID 51116195
(E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoate
CID 7131871

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-methoxyphenyl)methyl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-[(2-methoxyphenyl)methyl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide (CID 27017551) is (E)-N-[(2-methoxyphenyl)methyl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-[(2-methoxyphenyl)methyl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-[(2-methoxyphenyl)methyl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide is COc1ccccc1CNC(=O)/C=C/c1ccc([C@H]2C[C@@H]2C)o1.
What is the InChIKey of (E)-N-[(2-methoxyphenyl)methyl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide?
The InChIKey is SGIJDGOUBUOBKR-PMENNHOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13-11-16(13)18-9-7-15(23-18)8-10-19(21)20-12-14-5-3-4-6-17(14)22-2/h3-10,13,16H,11-12H2,1-2H3,(H,20,21)/b10-8+/t13-,16-/m0/s1.
What are the key properties of (E)-N-[(2-methoxyphenyl)methyl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide?
(E)-N-[(2-methoxyphenyl)methyl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide has a molecular weight of 311.38 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-methoxyphenyl)methyl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide is sourced from PubChem (CID 27017551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).