(Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

C22H27NO — CID 22305599

IUPAC(Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCCC(C)c1ccc(NC(=O)/C=C\c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H27NO/c1-5-17(4)20-11-13-21(14-12-20)23-22(24)15-8-18-6-9-19(10-7-18)16(2)3/h6-17H,5H2,1-4H3,(H,23,24)/b15-8-
InChIKeyJAQBTCBGDZYAEZ-NVNXTCNLSA-N
MW321.46 g/mol
LogP5.98
Rot. Bonds6

About (Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

(Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 22305599) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is (Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID22305599
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name(Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCCC(C)c1ccc(NC(=O)/C=C\c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H27NO/c1-5-17(4)20-11-13-21(14-12-20)23-22(24)15-8-18-6-9-19(10-7-18)16(2)3/h6-17H,5H2,1-4H3,(H,23,24)/b15-8-
InChIKeyJAQBTCBGDZYAEZ-NVNXTCNLSA-N
XLogP5.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.46
LogP ≤ 55.98
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)-N-[4-[(2R)-butan-2-yl]phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 40584642
(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
ethyl 4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate
CID 766245
ethyl 4-[3-(4-propan-2-ylphenyl)prop-2-enoylamino]benzoate
CID 766243
(E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 34908465
(E)-3-[4-(methylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 25391728
(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1290295
N-[4-(acetylcarbamothioylamino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5121311
(E)-N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6369891
(Z)-N-[(2S)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 93005655

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 22305599) is (Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is CCC(C)c1ccc(NC(=O)/C=C\c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of (Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is JAQBTCBGDZYAEZ-NVNXTCNLSA-N. The full InChI is InChI=1S/C22H27NO/c1-5-17(4)20-11-13-21(14-12-20)23-22(24)15-8-18-6-9-19(10-7-18)16(2)3/h6-17H,5H2,1-4H3,(H,23,24)/b15-8-.
What are the key properties of (Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
(Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 321.46 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 22305599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).