(E)-N-methyl-2-[3-methyl-2-[[(E)-3-(4-methylphenyl)prop-2-ynylideneamino]oxymethyl]phenyl]pent-2-enamide

C24H26N2O2 — CID 166959788

IUPAC(E)-N-methyl-2-[3-methyl-2-[[(E)-3-(4-methylphenyl)prop-2-ynylideneamino]oxymethyl]phenyl]pent-2-enamide
SMILESCC/C=C(/C(=O)NC)c1cccc(C)c1CO/N=C/C#Cc1ccc(C)cc1
InChIInChI=1S/C24H26N2O2/c1-5-8-22(24(27)25-4)21-11-6-9-19(3)23(21)17-28-26-16-7-10-20-14-12-18(2)13-15-20/h6,8-9,11-16H,5,17H2,1-4H3,(H,25,27)/b22-8+,26-16+
InChIKeyDQSCVBNEWJZUGX-XXSOBTTFSA-N
MW374.48 g/mol
LogP4.40
Rot. Bonds6

About (E)-N-methyl-2-[3-methyl-2-[[(E)-3-(4-methylphenyl)prop-2-ynylideneamino]oxymethyl]phenyl]pent-2-enamide

(E)-N-methyl-2-[3-methyl-2-[[(E)-3-(4-methylphenyl)prop-2-ynylideneamino]oxymethyl]phenyl]pent-2-enamide (PubChem CID 166959788) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is (E)-N-methyl-2-[3-methyl-2-[[(E)-3-(4-methylphenyl)prop-2-ynylideneamino]oxymethyl]phenyl]pent-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-2-[3-methyl-2-[[(E)-3-(4-methylphenyl)prop-2-ynylideneamino]oxymethyl]phenyl]pent-2-enamide
PubChem CID166959788
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name(E)-N-methyl-2-[3-methyl-2-[[(E)-3-(4-methylphenyl)prop-2-ynylideneamino]oxymethyl]phenyl]pent-2-enamide
SMILESCC/C=C(/C(=O)NC)c1cccc(C)c1CO/N=C/C#Cc1ccc(C)cc1
InChIInChI=1S/C24H26N2O2/c1-5-8-22(24(27)25-4)21-11-6-9-19(3)23(21)17-28-26-16-7-10-20-14-12-18(2)13-15-20/h6,8-9,11-16H,5,17H2,1-4H3,(H,25,27)/b22-8+,26-16+
InChIKeyDQSCVBNEWJZUGX-XXSOBTTFSA-N
XLogP4.40
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-2-[3-methyl-2-[[(Z)-3-methylbut-3-en-2-ylideneamino]oxymethyl]phenyl]pent-2-enoate
CID 54337268
methyl (2E)-2-methoxyimino-2-[3-methyl-2-[[(E)-4-(4-methylphenyl)but-3-yn-2-ylideneamino]oxymethyl]phenyl]acetate
CID 162385189
(2E)-2-methoxyimino-N-methyl-2-[3-methyl-2-[[(E)-(3-methylphenyl)methylideneamino]oxymethyl]phenyl]acetamide
CID 162441232
(2E)-2-[2-[[(E)-4-(3-hydroxyphenyl)but-3-yn-2-ylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide
CID 166885244
(2E)-2-methoxyimino-N-methyl-2-[3-methyl-2-[[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]oxymethyl]phenyl]acetamide
CID 170278670
(2Z)-2-[2-[[(Z)-3-formyliminobutan-2-ylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide
CID 54286590
(2E)-2-[2-[[(E)-4-(2-chlorophenyl)but-3-yn-2-ylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide
CID 162385319
methyl (Z)-2-[2-[[(E)-1-(2-ethynylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]hex-2-enoate
CID 166811859
(2E)-2-[2-[[(E)-4-(4-chlorophenyl)but-3-yn-2-ylideneamino]oxymethyl]-3-methylphenyl]-N-ethyl-2-methoxyiminoacetamide
CID 166959767
methyl (Z)-2-[2-[[(E)-1-[2,3-difluoro-5-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]-3-methylphenyl]hex-2-enoate
CID 166811944
ethyl 5-(4-methylphenyl)pent-2-en-4-ynoate
CID 85434381
(2E)-2-methoxyimino-N-methyl-2-[3-methyl-2-[[(E)-1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide
CID 157024252

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-2-[3-methyl-2-[[(E)-3-(4-methylphenyl)prop-2-ynylideneamino]oxymethyl]phenyl]pent-2-enamide?
The IUPAC name of (E)-N-methyl-2-[3-methyl-2-[[(E)-3-(4-methylphenyl)prop-2-ynylideneamino]oxymethyl]phenyl]pent-2-enamide (CID 166959788) is (E)-N-methyl-2-[3-methyl-2-[[(E)-3-(4-methylphenyl)prop-2-ynylideneamino]oxymethyl]phenyl]pent-2-enamide.
What is the SMILES notation for (E)-N-methyl-2-[3-methyl-2-[[(E)-3-(4-methylphenyl)prop-2-ynylideneamino]oxymethyl]phenyl]pent-2-enamide?
The canonical SMILES for (E)-N-methyl-2-[3-methyl-2-[[(E)-3-(4-methylphenyl)prop-2-ynylideneamino]oxymethyl]phenyl]pent-2-enamide is CC/C=C(/C(=O)NC)c1cccc(C)c1CO/N=C/C#Cc1ccc(C)cc1.
What is the InChIKey of (E)-N-methyl-2-[3-methyl-2-[[(E)-3-(4-methylphenyl)prop-2-ynylideneamino]oxymethyl]phenyl]pent-2-enamide?
The InChIKey is DQSCVBNEWJZUGX-XXSOBTTFSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-5-8-22(24(27)25-4)21-11-6-9-19(3)23(21)17-28-26-16-7-10-20-14-12-18(2)13-15-20/h6,8-9,11-16H,5,17H2,1-4H3,(H,25,27)/b22-8+,26-16+.
What are the key properties of (E)-N-methyl-2-[3-methyl-2-[[(E)-3-(4-methylphenyl)prop-2-ynylideneamino]oxymethyl]phenyl]pent-2-enamide?
(E)-N-methyl-2-[3-methyl-2-[[(E)-3-(4-methylphenyl)prop-2-ynylideneamino]oxymethyl]phenyl]pent-2-enamide has a molecular weight of 374.48 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-2-[3-methyl-2-[[(E)-3-(4-methylphenyl)prop-2-ynylideneamino]oxymethyl]phenyl]pent-2-enamide is sourced from PubChem (CID 166959788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).