N-(furan-2-ylmethyl)-2-[(2-phenoxyacetyl)-prop-2-enylamino]-N-(2-phenylethyl)acetamide

C26H28N2O4 — CID 3906755

IUPACN-(furan-2-ylmethyl)-2-[(2-phenoxyacetyl)-prop-2-enylamino]-N-(2-phenylethyl)acetamide
SMILESC=CCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)COc1ccccc1
InChIInChI=1S/C26H28N2O4/c1-2-16-27(26(30)21-32-23-12-7-4-8-13-23)20-25(29)28(19-24-14-9-18-31-24)17-15-22-10-5-3-6-11-22/h2-14,18H,1,15-17,19-21H2
InChIKeyWIGQQFNMIMVXOR-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.94
Rot. Bonds12

About N-(furan-2-ylmethyl)-2-[(2-phenoxyacetyl)-prop-2-enylamino]-N-(2-phenylethyl)acetamide

N-(furan-2-ylmethyl)-2-[(2-phenoxyacetyl)-prop-2-enylamino]-N-(2-phenylethyl)acetamide (PubChem CID 3906755) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(2-phenoxyacetyl)-prop-2-enylamino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(2-phenoxyacetyl)-prop-2-enylamino]-N-(2-phenylethyl)acetamide
PubChem CID3906755
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC NameN-(furan-2-ylmethyl)-2-[(2-phenoxyacetyl)-prop-2-enylamino]-N-(2-phenylethyl)acetamide
SMILESC=CCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)COc1ccccc1
InChIInChI=1S/C26H28N2O4/c1-2-16-27(26(30)21-32-23-12-7-4-8-13-23)20-25(29)28(19-24-14-9-18-31-24)17-15-22-10-5-3-6-11-22/h2-14,18H,1,15-17,19-21H2
InChIKeyWIGQQFNMIMVXOR-UHFFFAOYSA-N
XLogP3.94
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenyl-N-prop-2-enylbenzamide
CID 3999043
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-prop-2-enyltetradecanamide
CID 42664586
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide
CID 3456879
2-[(2-ethoxyphenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3305402
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2,4-dimethoxy-N-prop-2-enylbenzamide
CID 4280839
2-[(2-bromophenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 5038779
2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3911221
2-[(3,4-dimethylphenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 5183118
2-[(2,4-dichlorophenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3548188
N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
CID 3665303
N-(furan-2-ylmethyl)-N-(2-phenylethyl)-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide
CID 3581106
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-prop-2-enylbenzamide
CID 5136606

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(2-phenoxyacetyl)-prop-2-enylamino]-N-(2-phenylethyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(2-phenoxyacetyl)-prop-2-enylamino]-N-(2-phenylethyl)acetamide (CID 3906755) is N-(furan-2-ylmethyl)-2-[(2-phenoxyacetyl)-prop-2-enylamino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(2-phenoxyacetyl)-prop-2-enylamino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(2-phenoxyacetyl)-prop-2-enylamino]-N-(2-phenylethyl)acetamide is C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)COc1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(2-phenoxyacetyl)-prop-2-enylamino]-N-(2-phenylethyl)acetamide?
The InChIKey is WIGQQFNMIMVXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-2-16-27(26(30)21-32-23-12-7-4-8-13-23)20-25(29)28(19-24-14-9-18-31-24)17-15-22-10-5-3-6-11-22/h2-14,18H,1,15-17,19-21H2.
What are the key properties of N-(furan-2-ylmethyl)-2-[(2-phenoxyacetyl)-prop-2-enylamino]-N-(2-phenylethyl)acetamide?
N-(furan-2-ylmethyl)-2-[(2-phenoxyacetyl)-prop-2-enylamino]-N-(2-phenylethyl)acetamide has a molecular weight of 432.52 g/mol, XLogP of 3.94, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(2-phenoxyacetyl)-prop-2-enylamino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3906755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).