(E)-3-(4-tert-butylphenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]prop-2-enamide

C23H29NO3 — CID 99998157

IUPAC(E)-3-(4-tert-butylphenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]prop-2-enamide
SMILESCOc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H29NO3/c1-17(16-27-21-13-11-20(26-5)12-14-21)24-22(25)15-8-18-6-9-19(10-7-18)23(2,3)4/h6-15,17H,16H2,1-5H3,(H,24,25)/b15-8+/t17-/m1/s1
InChIKeyAGAGSYFFPHFNSY-YBYKNVHQSA-N
MW367.49 g/mol
LogP4.59
Rot. Bonds7

About (E)-3-(4-tert-butylphenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]prop-2-enamide

(E)-3-(4-tert-butylphenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]prop-2-enamide (PubChem CID 99998157) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (E)-3-(4-tert-butylphenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-tert-butylphenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]prop-2-enamide
PubChem CID99998157
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(E)-3-(4-tert-butylphenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]prop-2-enamide
SMILESCOc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H29NO3/c1-17(16-27-21-13-11-20(26-5)12-14-21)24-22(25)15-8-18-6-9-19(10-7-18)23(2,3)4/h6-15,17H,16H2,1-5H3,(H,24,25)/b15-8+/t17-/m1/s1
InChIKeyAGAGSYFFPHFNSY-YBYKNVHQSA-N
XLogP4.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.59
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-(4-methoxyphenyl)-N-[1-(4-methylphenoxy)propan-2-yl]prop-2-enamide
CID 132651003
(E)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylprop-2-enamide
CID 99995518
(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]prop-2-enamide
CID 30384346
(E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide
CID 757128
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(E)-3-(4-tert-butylphenyl)-N-(3-methylbutan-2-yl)prop-2-enamide
CID 133244942
3-[4-(difluoromethoxy)phenyl]-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 73422099
4-tert-butyl-N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17235009
(E)-3-(3,5-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 18169436
2-[3-(4-methoxyphenyl)prop-2-enoylamino]-3-methylbutanoic acid
CID 4875063
(E)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 5355141
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-tert-butylphenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(4-tert-butylphenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]prop-2-enamide (CID 99998157) is (E)-3-(4-tert-butylphenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-tert-butylphenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-tert-butylphenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]prop-2-enamide is COc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of (E)-3-(4-tert-butylphenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]prop-2-enamide?
The InChIKey is AGAGSYFFPHFNSY-YBYKNVHQSA-N. The full InChI is InChI=1S/C23H29NO3/c1-17(16-27-21-13-11-20(26-5)12-14-21)24-22(25)15-8-18-6-9-19(10-7-18)23(2,3)4/h6-15,17H,16H2,1-5H3,(H,24,25)/b15-8+/t17-/m1/s1.
What are the key properties of (E)-3-(4-tert-butylphenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]prop-2-enamide?
(E)-3-(4-tert-butylphenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]prop-2-enamide has a molecular weight of 367.49 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-tert-butylphenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]prop-2-enamide is sourced from PubChem (CID 99998157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).