N-benzyl-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)propanamide

C19H20N2O4 — CID 37428744

IUPACN-benzyl-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C19H20N2O4/c22-17(10-11-21-18(23)8-9-19(21)24)20(14-16-7-4-12-25-16)13-15-5-2-1-3-6-15/h1-7,12H,8-11,13-14H2
InChIKeyNNNHFHXEEWERHU-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.35
Rot. Bonds7

About N-benzyl-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)propanamide

N-benzyl-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)propanamide (PubChem CID 37428744) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-benzyl-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)propanamide
PubChem CID37428744
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-benzyl-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C19H20N2O4/c22-17(10-11-21-18(23)8-9-19(21)24)20(14-16-7-4-12-25-16)13-15-5-2-1-3-6-15/h1-7,12H,8-11,13-14H2
InChIKeyNNNHFHXEEWERHU-UHFFFAOYSA-N
XLogP2.35
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(furan-2-ylmethyl)butanamide
CID 37429584
N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 51148631
N-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 37429112
N-benzyl-N-(furan-2-ylmethyl)-2-naphthalen-1-ylacetamide
CID 18830847
N-benzyl-N-(furan-2-ylmethyl)-3-thiophen-3-ylpropanamide
CID 134013428
N-benzyl-N-(furan-2-ylmethyl)-2-(methylamino)acetamide;hydrochloride
CID 120703561
N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide
CID 52556901
N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 60546192
2-[acetyl(cyclopropyl)amino]-N-benzyl-N-(furan-2-ylmethyl)acetamide
CID 4281415
N-benzyl-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 112761159
N-benzyl-N-(furan-2-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8888860
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
CID 1058293

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of N-benzyl-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)propanamide (CID 37428744) is N-benzyl-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for N-benzyl-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for N-benzyl-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)propanamide is O=C(CCN1C(=O)CCC1=O)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of N-benzyl-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is NNNHFHXEEWERHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-17(10-11-21-18(23)8-9-19(21)24)20(14-16-7-4-12-25-16)13-15-5-2-1-3-6-15/h1-7,12H,8-11,13-14H2.
What are the key properties of N-benzyl-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)propanamide?
N-benzyl-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 340.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 37428744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).