(E)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide

C21H25NO3 — CID 124834120

IUPAC(E)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1
InChIInChI=1S/C21H25NO3/c1-13-5-8-19(24-4)18(11-13)15(3)22-21(23)10-7-16-6-9-20(25-16)17-12-14(17)2/h5-11,14-15,17H,12H2,1-4H3,(H,22,23)/b10-7+/t14-,15+,17-/m1/s1
InChIKeyHYCPIHNPNGVLPJ-JUKWXOASSA-N
MW339.44 g/mol
LogP4.61
Rot. Bonds6

About (E)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide

(E)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide (PubChem CID 124834120) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is (E)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
PubChem CID124834120
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name(E)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1
InChIInChI=1S/C21H25NO3/c1-13-5-8-19(24-4)18(11-13)15(3)22-21(23)10-7-16-6-9-20(25-16)17-12-14(17)2/h5-11,14-15,17H,12H2,1-4H3,(H,22,23)/b10-7+/t14-,15+,17-/m1/s1
InChIKeyHYCPIHNPNGVLPJ-JUKWXOASSA-N
XLogP4.61
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.61
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

(E)-3-(furan-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9048389
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-methylbut-2-enamide
CID 47010076
(E)-3-(1,3-benzoxazol-2-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 51212482
(E)-N-[(2S)-butan-2-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 129419927
(E)-3-(2,4-dimethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9262378
(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide
CID 39435422
(E)-N-(2,5-dimethylphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 18277233
(2S)-N-tert-butyl-2-[[(Z)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propanamide
CID 98727390
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9263046
N-(1-hydroxy-4-methylpentan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 61245613
(Z)-N-[(2-methoxyphenyl)methyl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 129421507
(E)-N-[(2-methoxyphenyl)methyl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 27017551

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide (CID 124834120) is (E)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide is COc1ccc(C)cc1[C@H](C)NC(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1.
What is the InChIKey of (E)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide?
The InChIKey is HYCPIHNPNGVLPJ-JUKWXOASSA-N. The full InChI is InChI=1S/C21H25NO3/c1-13-5-8-19(24-4)18(11-13)15(3)22-21(23)10-7-16-6-9-20(25-16)17-12-14(17)2/h5-11,14-15,17H,12H2,1-4H3,(H,22,23)/b10-7+/t14-,15+,17-/m1/s1.
What are the key properties of (E)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide?
(E)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide has a molecular weight of 339.44 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide is sourced from PubChem (CID 124834120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).