N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C17H25N3O4 — CID 51095697

IUPACN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCN(CC)C(CNC(=O)CCN1C(=O)CCC1=O)c1ccco1
InChIInChI=1S/C17H25N3O4/c1-3-19(4-2)13(14-6-5-11-24-14)12-18-15(21)9-10-20-16(22)7-8-17(20)23/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,18,21)
InChIKeyPAKSTIKHKPLDBD-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.32
Rot. Bonds9

About N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 51095697) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID51095697
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCN(CC)C(CNC(=O)CCN1C(=O)CCC1=O)c1ccco1
InChIInChI=1S/C17H25N3O4/c1-3-19(4-2)13(14-6-5-11-24-14)12-18-15(21)9-10-20-16(22)7-8-17(20)23/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,18,21)
InChIKeyPAKSTIKHKPLDBD-UHFFFAOYSA-N
XLogP1.32
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 94819543
N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94824014
2-[4-[2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide
CID 55823292
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 55462976
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
CID 71933658
N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 94819649
N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 52524946
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide
CID 55828169
4-chloro-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 138034235
3-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-3-methyl-2-phenylbutyl]propanamide
CID 35009959
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 51126889
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 55454336

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 51095697) is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is CCN(CC)C(CNC(=O)CCN1C(=O)CCC1=O)c1ccco1.
What is the InChIKey of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is PAKSTIKHKPLDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-3-19(4-2)13(14-6-5-11-24-14)12-18-15(21)9-10-20-16(22)7-8-17(20)23/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 335.40 g/mol, XLogP of 1.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 51095697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).