(Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide

C28H36N2O2 — CID 92971155

IUPAC(Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
SMILESCC(C)c1ccc(/C=C\C(=O)NCCCCNC(=O)/C=C/c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C28H36N2O2/c1-21(2)25-13-7-23(8-14-25)11-17-27(31)29-19-5-6-20-30-28(32)18-12-24-9-15-26(16-10-24)22(3)4/h7-18,21-22H,5-6,19-20H2,1-4H3,(H,29,31)(H,30,32)/b17-11-,18-12+
InChIKeyCCSYKAOVSFNGDZ-MJZABRMRSA-N
MW432.61 g/mol
LogP5.67
Rot. Bonds11

About (Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide

(Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide (PubChem CID 92971155) has the molecular formula C28H36N2O2 and a molecular weight of 432.61 g/mol. Its IUPAC name is (Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
PubChem CID92971155
Molecular FormulaC28H36N2O2
Molecular Weight432.61 g/mol
Exact Mass432.28
IUPAC Name(Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
SMILESCC(C)c1ccc(/C=C\C(=O)NCCCCNC(=O)/C=C/c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C28H36N2O2/c1-21(2)25-13-7-23(8-14-25)11-17-27(31)29-19-5-6-20-30-28(32)18-12-24-9-15-26(16-10-24)22(3)4/h7-18,21-22H,5-6,19-20H2,1-4H3,(H,29,31)(H,30,32)/b17-11-,18-12+
InChIKeyCCSYKAOVSFNGDZ-MJZABRMRSA-N
XLogP5.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4115175
(E)-3-(4-propan-2-ylphenyl)-N-propylprop-2-enamide
CID 6159715
methyl 4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butanoate
CID 102534511
(E)-N-but-3-enyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 113466047
N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 2927461
2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]acetic acid
CID 43239068
(E)-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 19327964
ethyl 2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]acetate
CID 6087824
(E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide
CID 6006406
3-(4-chlorophenyl)-N-decylprop-2-enamide
CID 4172877
(E)-N-(4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide
CID 55593221
3-(4-fluorophenyl)-N-[8-[3-(4-fluorophenyl)prop-2-enoylamino]octyl]prop-2-enamide
CID 5142775

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide?
The IUPAC name of (Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide (CID 92971155) is (Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide?
The canonical SMILES for (Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide is CC(C)c1ccc(/C=C\C(=O)NCCCCNC(=O)/C=C/c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of (Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide?
The InChIKey is CCSYKAOVSFNGDZ-MJZABRMRSA-N. The full InChI is InChI=1S/C28H36N2O2/c1-21(2)25-13-7-23(8-14-25)11-17-27(31)29-19-5-6-20-30-28(32)18-12-24-9-15-26(16-10-24)22(3)4/h7-18,21-22H,5-6,19-20H2,1-4H3,(H,29,31)(H,30,32)/b17-11-,18-12+.
What are the key properties of (Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide?
(Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide has a molecular weight of 432.61 g/mol, XLogP of 5.67, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide is sourced from PubChem (CID 92971155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).