(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]prop-2-enamide

C22H27NO — CID 28576987

IUPAC(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]prop-2-enamide
SMILESCc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H27NO/c1-16-6-11-19(12-7-16)17(2)23-21(24)15-10-18-8-13-20(14-9-18)22(3,4)5/h6-15,17H,1-5H3,(H,23,24)/b15-10+/t17-/m1/s1
InChIKeyMKYUMYOUASVCBY-IUYQLWOBSA-N
MW321.46 g/mol
LogP5.18
Rot. Bonds4

About (E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]prop-2-enamide

(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]prop-2-enamide (PubChem CID 28576987) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is (E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]prop-2-enamide
PubChem CID28576987
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]prop-2-enamide
SMILESCc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H27NO/c1-16-6-11-19(12-7-16)17(2)23-21(24)15-10-18-8-13-20(14-9-18)22(3,4)5/h6-15,17H,1-5H3,(H,23,24)/b15-10+/t17-/m1/s1
InChIKeyMKYUMYOUASVCBY-IUYQLWOBSA-N
XLogP5.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.46
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]prop-2-enamide
CID 94843392
(E)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 43907234
(E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 898567
(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]prop-2-enamide
CID 30384346
(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 93486677
(Z)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide
CID 92898615
(E)-3-(4-tert-butylphenyl)-N-(3-methylbutan-2-yl)prop-2-enamide
CID 133244942
(E)-3-(4-tert-butylphenyl)-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]prop-2-enamide
CID 99998222
(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]prop-2-enamide
CID 125042497
(E)-3-(3-aminophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]prop-2-enamide
CID 115344734
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
(2R)-2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-3-methylbutanoic acid
CID 92925443

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]prop-2-enamide (CID 28576987) is (E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]prop-2-enamide is Cc1ccc([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-[(1R)-1-(4-methylphenyl)ethyl]prop-2-enamide?
The InChIKey is MKYUMYOUASVCBY-IUYQLWOBSA-N. The full InChI is InChI=1S/C22H27NO/c1-16-6-11-19(12-7-16)17(2)23-21(24)15-10-18-8-13-20(14-9-18)22(3,4)5/h6-15,17H,1-5H3,(H,23,24)/b15-10+/t17-/m1/s1.
What are the key properties of (E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]prop-2-enamide?
(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]prop-2-enamide has a molecular weight of 321.46 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 28576987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).