(Z)-3-(4-aminophenyl)-N-decyl-3-phenylprop-2-enamide

C25H34N2O — CID 70542732

IUPAC(Z)-3-(4-aminophenyl)-N-decyl-3-phenylprop-2-enamide
SMILESCCCCCCCCCCNC(=O)/C=C(/c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C25H34N2O/c1-2-3-4-5-6-7-8-12-19-27-25(28)20-24(21-13-10-9-11-14-21)22-15-17-23(26)18-16-22/h9-11,13-18,20H,2-8,12,19,26H2,1H3,(H,27,28)/b24-20-
InChIKeyAIDQCZJLNXLPBK-GFMRDNFCSA-N
MW378.56 g/mol
LogP5.96
Rot. Bonds12

About (Z)-3-(4-aminophenyl)-N-decyl-3-phenylprop-2-enamide

(Z)-3-(4-aminophenyl)-N-decyl-3-phenylprop-2-enamide (PubChem CID 70542732) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is (Z)-3-(4-aminophenyl)-N-decyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-aminophenyl)-N-decyl-3-phenylprop-2-enamide
PubChem CID70542732
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC Name(Z)-3-(4-aminophenyl)-N-decyl-3-phenylprop-2-enamide
SMILESCCCCCCCCCCNC(=O)/C=C(/c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C25H34N2O/c1-2-3-4-5-6-7-8-12-19-27-25(28)20-24(21-13-10-9-11-14-21)22-15-17-23(26)18-16-22/h9-11,13-18,20H,2-8,12,19,26H2,1H3,(H,27,28)/b24-20-
InChIKeyAIDQCZJLNXLPBK-GFMRDNFCSA-N
XLogP5.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(octylamino)-1-phenylbut-2-en-1-one
CID 68524139
(E)-N-hexyl-3-hydroxybut-2-enamide
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2-(4-aminophenyl)-N-heptylacetamide
CID 54795787
N-octadec-9-enylbenzamide
CID 54554566
3,4-diamino-N-dodecylbenzamide
CID 22411166
(2S)-2-amino-N-decyl-2-phenylacetamide
CID 104898142
3-amino-N-hexadecylbenzamide;hydrochloride
CID 45049404
N,N'-dihexyl-2-phenylpropanediamide
CID 3396321
N-dodecyl-2,2-diphenylacetamide
CID 5143289
2-methyl-1-[4-(octylamino)phenyl]-3-phenylpropane-1,3-dione
CID 21318895
1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide
CID 112558265
N-[3-[[amino-(octylamino)methylidene]amino]propyl]benzamide
CID 111094065

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-aminophenyl)-N-decyl-3-phenylprop-2-enamide?
The IUPAC name of (Z)-3-(4-aminophenyl)-N-decyl-3-phenylprop-2-enamide (CID 70542732) is (Z)-3-(4-aminophenyl)-N-decyl-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-3-(4-aminophenyl)-N-decyl-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-3-(4-aminophenyl)-N-decyl-3-phenylprop-2-enamide is CCCCCCCCCCNC(=O)/C=C(/c1ccccc1)c1ccc(N)cc1.
What is the InChIKey of (Z)-3-(4-aminophenyl)-N-decyl-3-phenylprop-2-enamide?
The InChIKey is AIDQCZJLNXLPBK-GFMRDNFCSA-N. The full InChI is InChI=1S/C25H34N2O/c1-2-3-4-5-6-7-8-12-19-27-25(28)20-24(21-13-10-9-11-14-21)22-15-17-23(26)18-16-22/h9-11,13-18,20H,2-8,12,19,26H2,1H3,(H,27,28)/b24-20-.
What are the key properties of (Z)-3-(4-aminophenyl)-N-decyl-3-phenylprop-2-enamide?
(Z)-3-(4-aminophenyl)-N-decyl-3-phenylprop-2-enamide has a molecular weight of 378.56 g/mol, XLogP of 5.96, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-aminophenyl)-N-decyl-3-phenylprop-2-enamide is sourced from PubChem (CID 70542732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).