N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide

C18H29N3O3 — CID 51085663

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
SMILESCN(C)C(CNC(=O)C1CCCN1C(=O)C(C)(C)C)c1ccco1
InChIInChI=1S/C18H29N3O3/c1-18(2,3)17(23)21-10-6-8-13(21)16(22)19-12-14(20(4)5)15-9-7-11-24-15/h7,9,11,13-14H,6,8,10,12H2,1-5H3,(H,19,22)
InChIKeyQBKANSYURAKLGE-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.04
Rot. Bonds5

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide (PubChem CID 51085663) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
PubChem CID51085663
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
SMILESCN(C)C(CNC(=O)C1CCCN1C(=O)C(C)(C)C)c1ccco1
InChIInChI=1S/C18H29N3O3/c1-18(2,3)17(23)21-10-6-8-13(21)16(22)19-12-14(20(4)5)15-9-7-11-24-15/h7,9,11,13-14H,6,8,10,12H2,1-5H3,(H,19,22)
InChIKeyQBKANSYURAKLGE-UHFFFAOYSA-N
XLogP2.04
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide
CID 55605802
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110621179
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 122566101
trans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide
CID 124726367
N-[2-(furan-2-yl)-2-hydroxyethyl]-1-propanoylpiperidine-2-carboxamide
CID 110906621
N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 41454031
N'-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 18589097
(2R)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-2-carboxamide
CID 104913652
1-(2,2-dimethylpropanoyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 55679020
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 95132102
2-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110621193
1-(2,2-dimethylpropanoyl)-N-[(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
CID 51085674

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide (CID 51085663) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide is CN(C)C(CNC(=O)C1CCCN1C(=O)C(C)(C)C)c1ccco1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is QBKANSYURAKLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-18(2,3)17(23)21-10-6-8-13(21)16(22)19-12-14(20(4)5)15-9-7-11-24-15/h7,9,11,13-14H,6,8,10,12H2,1-5H3,(H,19,22).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51085663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).