(E)-N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-3-(2-methoxyphenyl)prop-2-enamide

C23H29NO2 — CID 40618833

IUPAC(E)-N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCC[C@@H](C)c1ccc([C@H](CC)NC(=O)/C=C/c2ccccc2OC)cc1
InChIInChI=1S/C23H29NO2/c1-5-17(3)18-11-13-19(14-12-18)21(6-2)24-23(25)16-15-20-9-7-8-10-22(20)26-4/h7-17,21H,5-6H2,1-4H3,(H,24,25)/b16-15+/t17-,21+/m1/s1
InChIKeyJAEKZFZDVOSJNR-HGICYOSUSA-N
MW351.49 g/mol
LogP5.49
Rot. Bonds8

About (E)-N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-3-(2-methoxyphenyl)prop-2-enamide

(E)-N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 40618833) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is (E)-N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID40618833
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name(E)-N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCC[C@@H](C)c1ccc([C@H](CC)NC(=O)/C=C/c2ccccc2OC)cc1
InChIInChI=1S/C23H29NO2/c1-5-17(3)18-11-13-19(14-12-18)21(6-2)24-23(25)16-15-20-9-7-8-10-22(20)26-4/h7-17,21H,5-6H2,1-4H3,(H,24,25)/b16-15+/t17-,21+/m1/s1
InChIKeyJAEKZFZDVOSJNR-HGICYOSUSA-N
XLogP5.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.49
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-(4-butan-2-ylphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 17371624
(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 9297337
(E)-N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 132653574
(E)-N-[1-(4-methoxy-3-methylphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 133161398
(E)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]prop-2-enamide
CID 99998752
(E)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 110001866
(E)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 92672766
(E)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 92682297
ethyl 2-[3-(2-methoxyphenyl)prop-2-enoylamino]propanoate
CID 76898175
(E)-3-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618935
(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618934
(E)-3-(2-methoxyphenyl)-N-[(2R)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 40648014

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-3-(2-methoxyphenyl)prop-2-enamide (CID 40618833) is (E)-N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-3-(2-methoxyphenyl)prop-2-enamide is CC[C@@H](C)c1ccc([C@H](CC)NC(=O)/C=C/c2ccccc2OC)cc1.
What is the InChIKey of (E)-N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is JAEKZFZDVOSJNR-HGICYOSUSA-N. The full InChI is InChI=1S/C23H29NO2/c1-5-17(3)18-11-13-19(14-12-18)21(6-2)24-23(25)16-15-20-9-7-8-10-22(20)26-4/h7-17,21H,5-6H2,1-4H3,(H,24,25)/b16-15+/t17-,21+/m1/s1.
What are the key properties of (E)-N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-3-(2-methoxyphenyl)prop-2-enamide?
(E)-N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 351.49 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 40618833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).