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

C24H31NO2 — CID 133209856

IUPAC(E)-3-(4-tert-butylphenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]prop-2-enamide
SMILESCCC(NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C24H31NO2/c1-7-21(19-11-14-22(27-6)17(2)16-19)25-23(26)15-10-18-8-12-20(13-9-18)24(3,4)5/h8-16,21H,7H2,1-6H3,(H,25,26)/b15-10+
InChIKeyKIXMGSPOHYDLOO-XNTDXEJSSA-N
MW365.52 g/mol
LogP5.58
Rot. Bonds6

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

(E)-3-(4-tert-butylphenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]prop-2-enamide (PubChem CID 133209856) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is (E)-3-(4-tert-butylphenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-tert-butylphenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]prop-2-enamide
PubChem CID133209856
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name(E)-3-(4-tert-butylphenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]prop-2-enamide
SMILESCCC(NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C24H31NO2/c1-7-21(19-11-14-22(27-6)17(2)16-19)25-23(26)15-10-18-8-12-20(13-9-18)24(3,4)5/h8-16,21H,7H2,1-6H3,(H,25,26)/b15-10+
InChIKeyKIXMGSPOHYDLOO-XNTDXEJSSA-N
XLogP5.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.58
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-methoxy-3-methylphenyl)propyl]-3-phenylprop-2-enamide
CID 133158369
(E)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide
CID 100701224
(E)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 99996750
(E)-N-[1-(4-methoxy-3-methylphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 133161398
(E)-N-[(1S)-1-(3,4-dimethylphenyl)propyl]-3-(4-fluorophenyl)prop-2-enamide
CID 99996485
(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]prop-2-enamide
CID 94843392
(E)-N-[1-(4-methylphenyl)propyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 55338673
2-(2-bromo-4-tert-butylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133202649
(E)-N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 132653574
4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210902
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-[(1R)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 9297429
4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100684625

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-tert-butylphenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-tert-butylphenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]prop-2-enamide (CID 133209856) is (E)-3-(4-tert-butylphenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-tert-butylphenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-tert-butylphenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]prop-2-enamide is CCC(NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(OC)c(C)c1.
What is the InChIKey of (E)-3-(4-tert-butylphenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]prop-2-enamide?
The InChIKey is KIXMGSPOHYDLOO-XNTDXEJSSA-N. The full InChI is InChI=1S/C24H31NO2/c1-7-21(19-11-14-22(27-6)17(2)16-19)25-23(26)15-10-18-8-12-20(13-9-18)24(3,4)5/h8-16,21H,7H2,1-6H3,(H,25,26)/b15-10+.
What are the key properties of (E)-3-(4-tert-butylphenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]prop-2-enamide?
(E)-3-(4-tert-butylphenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]prop-2-enamide has a molecular weight of 365.52 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-tert-butylphenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]prop-2-enamide is sourced from PubChem (CID 133209856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).