N-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C20H24N2O3 — CID 129439323

IUPACN-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NN=C/C=C\c2ccc(C)o2)c1
InChIInChI=1S/C20H24N2O3/c1-14(2)18-10-7-15(3)12-19(18)24-13-20(23)22-21-11-5-6-17-9-8-16(4)25-17/h5-12,14H,13H2,1-4H3,(H,22,23)/b6-5-,21-11?
InChIKeyLOCCLZCWLWMQIZ-PBTIPDKMSA-N
MW340.42 g/mol
LogP4.21
Rot. Bonds7

About N-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 129439323) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID129439323
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NN=C/C=C\c2ccc(C)o2)c1
InChIInChI=1S/C20H24N2O3/c1-14(2)18-10-7-15(3)12-19(18)24-13-20(23)22-21-11-5-6-17-9-8-16(4)25-17/h5-12,14H,13H2,1-4H3,(H,22,23)/b6-5-,21-11?
InChIKeyLOCCLZCWLWMQIZ-PBTIPDKMSA-N
XLogP4.21
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide
CID 5187756
N-[(E)-3-methylbutylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19166730
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5410642
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 3529778
N-[(E)-(4-bromophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6898844
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6885310
N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6885510
N-[(4-ethylphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5189524
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 7728220
N-[(E)-(2-hydroxy-5-phenylfuran-3-yl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 135987122
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6898722
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6142910

Frequently Asked Questions

What is the IUPAC name of N-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 129439323) is N-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)NN=C/C=C\c2ccc(C)o2)c1.
What is the InChIKey of N-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is LOCCLZCWLWMQIZ-PBTIPDKMSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14(2)18-10-7-15(3)12-19(18)24-13-20(23)22-21-11-5-6-17-9-8-16(4)25-17/h5-12,14H,13H2,1-4H3,(H,22,23)/b6-5-,21-11?.
What are the key properties of N-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 340.42 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 129439323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).