N-(4-ethylphenyl)-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide

C27H29NO — CID 42697813

IUPACN-(4-ethylphenyl)-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide
SMILESCCc1ccc(N(C/C=C/c2ccccc2)C(=O)C(CC)c2ccccc2)cc1
InChIInChI=1S/C27H29NO/c1-3-22-17-19-25(20-18-22)28(21-11-14-23-12-7-5-8-13-23)27(29)26(4-2)24-15-9-6-10-16-24/h5-20,26H,3-4,21H2,1-2H3/b14-11+
InChIKeyDCMWIIVYAORKOL-SDNWHVSQSA-N
MW383.54 g/mol
LogP6.49
Rot. Bonds8

About N-(4-ethylphenyl)-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide

N-(4-ethylphenyl)-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide (PubChem CID 42697813) has the molecular formula C27H29NO and a molecular weight of 383.54 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide
PubChem CID42697813
Molecular FormulaC27H29NO
Molecular Weight383.54 g/mol
Exact Mass383.22
IUPAC NameN-(4-ethylphenyl)-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide
SMILESCCc1ccc(N(C/C=C/c2ccccc2)C(=O)C(CC)c2ccccc2)cc1
InChIInChI=1S/C27H29NO/c1-3-22-17-19-25(20-18-22)28(21-11-14-23-12-7-5-8-13-23)27(29)26(4-2)24-15-9-6-10-16-24/h5-20,26H,3-4,21H2,1-2H3/b14-11+
InChIKeyDCMWIIVYAORKOL-SDNWHVSQSA-N
XLogP6.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide?
The IUPAC name of N-(4-ethylphenyl)-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide (CID 42697813) is N-(4-ethylphenyl)-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide?
The canonical SMILES for N-(4-ethylphenyl)-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide is CCc1ccc(N(C/C=C/c2ccccc2)C(=O)C(CC)c2ccccc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide?
The InChIKey is DCMWIIVYAORKOL-SDNWHVSQSA-N. The full InChI is InChI=1S/C27H29NO/c1-3-22-17-19-25(20-18-22)28(21-11-14-23-12-7-5-8-13-23)27(29)26(4-2)24-15-9-6-10-16-24/h5-20,26H,3-4,21H2,1-2H3/b14-11+.
What are the key properties of N-(4-ethylphenyl)-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide?
N-(4-ethylphenyl)-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide has a molecular weight of 383.54 g/mol, XLogP of 6.49, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide is sourced from PubChem (CID 42697813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).