N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-chloro-2-phenyl-N-prop-2-enylacetamide

C26H25ClN2O5 — CID 5193229

IUPACN-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-chloro-2-phenyl-N-prop-2-enylacetamide
SMILESC=CCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccco1)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C26H25ClN2O5/c1-2-12-28(26(31)25(27)20-7-4-3-5-8-20)17-24(30)29(16-21-9-6-13-32-21)15-19-10-11-22-23(14-19)34-18-33-22/h2-11,13-14,25H,1,12,15-18H2
InChIKeyBZFUXTXDNAWACV-UHFFFAOYSA-N
MW480.95 g/mol
LogP4.53
Rot. Bonds10

About N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-chloro-2-phenyl-N-prop-2-enylacetamide

N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-chloro-2-phenyl-N-prop-2-enylacetamide (PubChem CID 5193229) has the molecular formula C26H25ClN2O5 and a molecular weight of 480.95 g/mol. Its IUPAC name is N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-chloro-2-phenyl-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-chloro-2-phenyl-N-prop-2-enylacetamide
PubChem CID5193229
Molecular FormulaC26H25ClN2O5
Molecular Weight480.95 g/mol
Exact Mass480.15
IUPAC NameN-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-chloro-2-phenyl-N-prop-2-enylacetamide
SMILESC=CCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccco1)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C26H25ClN2O5/c1-2-12-28(26(31)25(27)20-7-4-3-5-8-20)17-24(30)29(16-21-9-6-13-32-21)15-19-10-11-22-23(14-19)34-18-33-22/h2-11,13-14,25H,1,12,15-18H2
InChIKeyBZFUXTXDNAWACV-UHFFFAOYSA-N
XLogP4.53
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.95
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-chloro-4-nitro-N-prop-2-enylbenzamide
CID 42664628
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide
CID 5038218
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
CID 1058880
N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[(2-phenoxyacetyl)-prop-2-enylamino]acetamide
CID 42772924
N-(1,3-benzodioxol-5-ylmethyl)-2-[ethylcarbamoyl(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 5094911
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)pentanamide
CID 42724557
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide
CID 42773400
N-benzyl-N-(furan-2-ylmethyl)-2-[(2-phenylsulfanylacetyl)-prop-2-enylamino]acetamide
CID 3634552
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-2-[(2-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 4577854
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-4-phenylbenzamide
CID 3251656
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide
CID 4611642
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-bromo-N-propan-2-ylbenzamide
CID 4179115

Frequently Asked Questions

What is the IUPAC name of N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-chloro-2-phenyl-N-prop-2-enylacetamide?
The IUPAC name of N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-chloro-2-phenyl-N-prop-2-enylacetamide (CID 5193229) is N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-chloro-2-phenyl-N-prop-2-enylacetamide.
What is the SMILES notation for N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-chloro-2-phenyl-N-prop-2-enylacetamide?
The canonical SMILES for N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-chloro-2-phenyl-N-prop-2-enylacetamide is C=CCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccco1)C(=O)C(Cl)c1ccccc1.
What is the InChIKey of N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-chloro-2-phenyl-N-prop-2-enylacetamide?
The InChIKey is BZFUXTXDNAWACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O5/c1-2-12-28(26(31)25(27)20-7-4-3-5-8-20)17-24(30)29(16-21-9-6-13-32-21)15-19-10-11-22-23(14-19)34-18-33-22/h2-11,13-14,25H,1,12,15-18H2.
What are the key properties of N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-chloro-2-phenyl-N-prop-2-enylacetamide?
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-chloro-2-phenyl-N-prop-2-enylacetamide has a molecular weight of 480.95 g/mol, XLogP of 4.53, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-chloro-2-phenyl-N-prop-2-enylacetamide is sourced from PubChem (CID 5193229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).