(E)-3-(4-tert-butylphenyl)-N-(3-methylbutan-2-yl)prop-2-enamide

C18H27NO — CID 133244942

IUPAC(E)-3-(4-tert-butylphenyl)-N-(3-methylbutan-2-yl)prop-2-enamide
SMILESCC(C)C(C)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H27NO/c1-13(2)14(3)19-17(20)12-9-15-7-10-16(11-8-15)18(4,5)6/h7-14H,1-6H3,(H,19,20)/b12-9+
InChIKeyQTIAWYQIWQTQPJ-FMIVXFBMSA-N
MW273.42 g/mol
LogP4.16
Rot. Bonds4

About (E)-3-(4-tert-butylphenyl)-N-(3-methylbutan-2-yl)prop-2-enamide

(E)-3-(4-tert-butylphenyl)-N-(3-methylbutan-2-yl)prop-2-enamide (PubChem CID 133244942) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (E)-3-(4-tert-butylphenyl)-N-(3-methylbutan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-tert-butylphenyl)-N-(3-methylbutan-2-yl)prop-2-enamide
PubChem CID133244942
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(E)-3-(4-tert-butylphenyl)-N-(3-methylbutan-2-yl)prop-2-enamide
SMILESCC(C)C(C)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H27NO/c1-13(2)14(3)19-17(20)12-9-15-7-10-16(11-8-15)18(4,5)6/h7-14H,1-6H3,(H,19,20)/b12-9+
InChIKeyQTIAWYQIWQTQPJ-FMIVXFBMSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.16
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

(2R)-2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-3-methylbutanoic acid
CID 92925443
(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]prop-2-enamide
CID 28576987
(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]prop-2-enamide
CID 94843392
(Z)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide
CID 92898615
(E)-3-(4-tert-butylphenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]prop-2-enamide
CID 99998157
(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]prop-2-enamide
CID 30384346
(E)-3-(4-tert-butylphenyl)-N-[(2-methylphenyl)-phenylmethyl]prop-2-enamide
CID 43904270
(E)-3-(4-tert-butylphenyl)prop-2-enamide
CID 47130646
(E)-3-(4-chlorophenyl)-N-(2,4-dimethylpentan-3-yl)prop-2-enamide
CID 806243
3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide
CID 76873451
(E)-N-(4-tert-butylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7914020
4-tert-butyl-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17111353

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-tert-butylphenyl)-N-(3-methylbutan-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-tert-butylphenyl)-N-(3-methylbutan-2-yl)prop-2-enamide (CID 133244942) is (E)-3-(4-tert-butylphenyl)-N-(3-methylbutan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-tert-butylphenyl)-N-(3-methylbutan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-tert-butylphenyl)-N-(3-methylbutan-2-yl)prop-2-enamide is CC(C)C(C)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (E)-3-(4-tert-butylphenyl)-N-(3-methylbutan-2-yl)prop-2-enamide?
The InChIKey is QTIAWYQIWQTQPJ-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H27NO/c1-13(2)14(3)19-17(20)12-9-15-7-10-16(11-8-15)18(4,5)6/h7-14H,1-6H3,(H,19,20)/b12-9+.
What are the key properties of (E)-3-(4-tert-butylphenyl)-N-(3-methylbutan-2-yl)prop-2-enamide?
(E)-3-(4-tert-butylphenyl)-N-(3-methylbutan-2-yl)prop-2-enamide has a molecular weight of 273.42 g/mol, XLogP of 4.16, 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-(3-methylbutan-2-yl)prop-2-enamide is sourced from PubChem (CID 133244942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).