2-(benzhydrylideneamino)-2-prop-2-enylpent-4-enamide

C21H22N2O — CID 71446342

IUPAC2-(benzhydrylideneamino)-2-prop-2-enylpent-4-enamide
SMILESC=CCC(CC=C)(N=C(c1ccccc1)c1ccccc1)C(N)=O
InChIInChI=1S/C21H22N2O/c1-3-15-21(16-4-2,20(22)24)23-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h3-14H,1-2,15-16H2,(H2,22,24)
InChIKeyZJCFZVVBLDTJSY-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.90
Rot. Bonds8

About 2-(benzhydrylideneamino)-2-prop-2-enylpent-4-enamide

2-(benzhydrylideneamino)-2-prop-2-enylpent-4-enamide (PubChem CID 71446342) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(benzhydrylideneamino)-2-prop-2-enylpent-4-enamide.

Molecular Properties

Compound Name2-(benzhydrylideneamino)-2-prop-2-enylpent-4-enamide
PubChem CID71446342
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name2-(benzhydrylideneamino)-2-prop-2-enylpent-4-enamide
SMILESC=CCC(CC=C)(N=C(c1ccccc1)c1ccccc1)C(N)=O
InChIInChI=1S/C21H22N2O/c1-3-15-21(16-4-2,20(22)24)23-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h3-14H,1-2,15-16H2,(H2,22,24)
InChIKeyZJCFZVVBLDTJSY-UHFFFAOYSA-N
XLogP3.90
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-2-benzylpent-4-enamide
CID 135080853
(2R)-2-bromo-2-fluoro-1-phenylpent-4-en-1-one
CID 125485411
N-(2-methylpent-4-en-2-yl)benzohydrazide
CID 19367786
2-ethenyl-2-phenylbut-3-enamide
CID 121008159
(3E)-2-benzoyl-2-prop-2-enylhexa-3,5-dienenitrile
CID 102577789
N-(2-hydroxy-2-prop-2-enylpent-4-enyl)benzamide
CID 23007822
2-benzyl-2-[(2-hydroxyphenyl)methylideneamino]pent-4-enoic acid
CID 136693257
tert-butyl 2-(benzhydrylideneamino)-2-benzoylhex-5-enoate
CID 86663724
(3R)-3-hydroxy-3-phenylmethoxycarbonylhex-5-enoic acid
CID 24879672
3-hydroxy-3-phenylmethoxycarbonylhex-5-enoic acid
CID 67043479
dibenzyl 2-phenyl-2-prop-2-enylpropanedioate
CID 171777576
tert-butyl 2-(benzhydrylideneamino)-2-propylhex-4-enoate
CID 174708236

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylideneamino)-2-prop-2-enylpent-4-enamide?
The IUPAC name of 2-(benzhydrylideneamino)-2-prop-2-enylpent-4-enamide (CID 71446342) is 2-(benzhydrylideneamino)-2-prop-2-enylpent-4-enamide.
What is the SMILES notation for 2-(benzhydrylideneamino)-2-prop-2-enylpent-4-enamide?
The canonical SMILES for 2-(benzhydrylideneamino)-2-prop-2-enylpent-4-enamide is C=CCC(CC=C)(N=C(c1ccccc1)c1ccccc1)C(N)=O.
What is the InChIKey of 2-(benzhydrylideneamino)-2-prop-2-enylpent-4-enamide?
The InChIKey is ZJCFZVVBLDTJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-3-15-21(16-4-2,20(22)24)23-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h3-14H,1-2,15-16H2,(H2,22,24).
What are the key properties of 2-(benzhydrylideneamino)-2-prop-2-enylpent-4-enamide?
2-(benzhydrylideneamino)-2-prop-2-enylpent-4-enamide has a molecular weight of 318.42 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylideneamino)-2-prop-2-enylpent-4-enamide is sourced from PubChem (CID 71446342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).