N-[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]acetamide

C20H21NO2 — CID 91823894

IUPACN-[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H21NO2/c1-14(2)17-7-4-16(5-8-17)6-13-20(23)18-9-11-19(12-10-18)21-15(3)22/h4-14H,1-3H3,(H,21,22)/b13-6+
InChIKeyYBHUAQGZGDBDCO-AWNIVKPZSA-N
MW307.39 g/mol
LogP4.66
Rot. Bonds5

About N-[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]acetamide

N-[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]acetamide (PubChem CID 91823894) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]acetamide
PubChem CID91823894
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC NameN-[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H21NO2/c1-14(2)17-7-4-16(5-8-17)6-13-20(23)18-9-11-19(12-10-18)21-15(3)22/h4-14H,1-3H3,(H,21,22)/b13-6+
InChIKeyYBHUAQGZGDBDCO-AWNIVKPZSA-N
XLogP4.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.66
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)-1-(4-hydroxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 6144622
(E)-3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557389
(E)-1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 39440500
(E)-3-(4-ethylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557392
(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28854457
N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 763457
(E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 84552409
N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide
CID 17177513
N-[4-(acetylcarbamothioylamino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5121311
N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide
CID 92840931
(Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 92908632
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 N-[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]acetamide (CID 91823894) is N-[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)/C=C/c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]acetamide?
The InChIKey is YBHUAQGZGDBDCO-AWNIVKPZSA-N. The full InChI is InChI=1S/C20H21NO2/c1-14(2)17-7-4-16(5-8-17)6-13-20(23)18-9-11-19(12-10-18)21-15(3)22/h4-14H,1-3H3,(H,21,22)/b13-6+.
What are the key properties of N-[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]acetamide?
N-[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]acetamide has a molecular weight of 307.39 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]acetamide is sourced from PubChem (CID 91823894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).