N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide

C23H28N2O4 — CID 3943750

IUPACN-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide
SMILESC=CCN(CC(=O)N(Cc1ccco1)CC1CCCO1)C(=O)Cc1ccccc1
InChIInChI=1S/C23H28N2O4/c1-2-12-24(22(26)15-19-8-4-3-5-9-19)18-23(27)25(16-20-10-6-13-28-20)17-21-11-7-14-29-21/h2-6,8-10,13,21H,1,7,11-12,14-18H2
InChIKeyXKLYMHHDXVTYBQ-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.04
Rot. Bonds10

About N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide

N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide (PubChem CID 3943750) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide
PubChem CID3943750
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide
SMILESC=CCN(CC(=O)N(Cc1ccco1)CC1CCCO1)C(=O)Cc1ccccc1
InChIInChI=1S/C23H28N2O4/c1-2-12-24(22(26)15-19-8-4-3-5-9-19)18-23(27)25(16-20-10-6-13-28-20)17-21-11-7-14-29-21/h2-6,8-10,13,21H,1,7,11-12,14-18H2
InChIKeyXKLYMHHDXVTYBQ-UHFFFAOYSA-N
XLogP3.04
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.04
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

2-[(2-chloroacetyl)-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 93110158
trans-(1R,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylcyclopropane-1-carboxamide
CID 11892916
(2S)-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylbutanamide
CID 7225373
N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-nitro-N-prop-2-enylbenzamide
CID 93110167
2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-propylacetamide
CID 3963586
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide
CID 3556620
N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 7416321
N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 7416323
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 5146813
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide
CID 4611642
2-[acetyl(propyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7271437
(E)-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 7430792

Frequently Asked Questions

What is the IUPAC name of N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide?
The IUPAC name of N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide (CID 3943750) is N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide.
What is the SMILES notation for N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide?
The canonical SMILES for N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide is C=CCN(CC(=O)N(Cc1ccco1)CC1CCCO1)C(=O)Cc1ccccc1.
What is the InChIKey of N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide?
The InChIKey is XKLYMHHDXVTYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-2-12-24(22(26)15-19-8-4-3-5-9-19)18-23(27)25(16-20-10-6-13-28-20)17-21-11-7-14-29-21/h2-6,8-10,13,21H,1,7,11-12,14-18H2.
What are the key properties of N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide?
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide has a molecular weight of 396.49 g/mol, XLogP of 3.04, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide is sourced from PubChem (CID 3943750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).