N-[2-(4-ethylphenyl)ethyl]-N'-[4-[(E)-2-phenylethenyl]phenyl]pentanediamide

C29H32N2O2 — CID 130369826

IUPACN-[2-(4-ethylphenyl)ethyl]-N'-[4-[(E)-2-phenylethenyl]phenyl]pentanediamide
SMILESCCc1ccc(CCNC(=O)CCCC(=O)Nc2ccc(/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C29H32N2O2/c1-2-23-11-13-26(14-12-23)21-22-30-28(32)9-6-10-29(33)31-27-19-17-25(18-20-27)16-15-24-7-4-3-5-8-24/h3-5,7-8,11-20H,2,6,9-10,21-22H2,1H3,(H,30,32)(H,31,33)/b16-15+
InChIKeyHDHIYUHESGMRRN-FOCLMDBBSA-N
MW440.59 g/mol
LogP5.89
Rot. Bonds11

About N-[2-(4-ethylphenyl)ethyl]-N'-[4-[(E)-2-phenylethenyl]phenyl]pentanediamide

N-[2-(4-ethylphenyl)ethyl]-N'-[4-[(E)-2-phenylethenyl]phenyl]pentanediamide (PubChem CID 130369826) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)ethyl]-N'-[4-[(E)-2-phenylethenyl]phenyl]pentanediamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)ethyl]-N'-[4-[(E)-2-phenylethenyl]phenyl]pentanediamide
PubChem CID130369826
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC NameN-[2-(4-ethylphenyl)ethyl]-N'-[4-[(E)-2-phenylethenyl]phenyl]pentanediamide
SMILESCCc1ccc(CCNC(=O)CCCC(=O)Nc2ccc(/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C29H32N2O2/c1-2-23-11-13-26(14-12-23)21-22-30-28(32)9-6-10-29(33)31-27-19-17-25(18-20-27)16-15-24-7-4-3-5-8-24/h3-5,7-8,11-20H,2,6,9-10,21-22H2,1H3,(H,30,32)(H,31,33)/b16-15+
InChIKeyHDHIYUHESGMRRN-FOCLMDBBSA-N
XLogP5.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid
CID 94693925
N-[2-[4-(2-methylbutan-2-yl)phenyl]ethyl]-N'-[4-(2-phenylethyl)phenyl]pentanediamide
CID 155014434
N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide
CID 127035783
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
2-[[amino-(4-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090956
5-oxo-N-(2-phenylethyl)octanamide
CID 90063979
ethyl 5-(4-ethylanilino)-5-oxopentanoate
CID 91711023
(E)-3-[4-(3-phenylpropanoylamino)phenyl]prop-2-enoic acid
CID 45387481
N-(4-butylphenyl)-5-oxo-5-phenylpentanamide
CID 108796131
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)ethyl]-N'-[4-[(E)-2-phenylethenyl]phenyl]pentanediamide?
The IUPAC name of N-[2-(4-ethylphenyl)ethyl]-N'-[4-[(E)-2-phenylethenyl]phenyl]pentanediamide (CID 130369826) is N-[2-(4-ethylphenyl)ethyl]-N'-[4-[(E)-2-phenylethenyl]phenyl]pentanediamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)ethyl]-N'-[4-[(E)-2-phenylethenyl]phenyl]pentanediamide?
The canonical SMILES for N-[2-(4-ethylphenyl)ethyl]-N'-[4-[(E)-2-phenylethenyl]phenyl]pentanediamide is CCc1ccc(CCNC(=O)CCCC(=O)Nc2ccc(/C=C/c3ccccc3)cc2)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)ethyl]-N'-[4-[(E)-2-phenylethenyl]phenyl]pentanediamide?
The InChIKey is HDHIYUHESGMRRN-FOCLMDBBSA-N. The full InChI is InChI=1S/C29H32N2O2/c1-2-23-11-13-26(14-12-23)21-22-30-28(32)9-6-10-29(33)31-27-19-17-25(18-20-27)16-15-24-7-4-3-5-8-24/h3-5,7-8,11-20H,2,6,9-10,21-22H2,1H3,(H,30,32)(H,31,33)/b16-15+.
What are the key properties of N-[2-(4-ethylphenyl)ethyl]-N'-[4-[(E)-2-phenylethenyl]phenyl]pentanediamide?
N-[2-(4-ethylphenyl)ethyl]-N'-[4-[(E)-2-phenylethenyl]phenyl]pentanediamide has a molecular weight of 440.59 g/mol, XLogP of 5.89, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)ethyl]-N'-[4-[(E)-2-phenylethenyl]phenyl]pentanediamide is sourced from PubChem (CID 130369826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).