2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide

C19H29N3O3 — CID 100844132

IUPAC2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)N(C)Cc1ccc(C)o1
InChIInChI=1S/C19H29N3O3/c1-14-8-9-16(25-14)12-20(3)19(24)13-21-10-4-6-17(21)18-7-5-11-22(18)15(2)23/h8-9,17-18H,4-7,10-13H2,1-3H3/t17-,18+/m0/s1
InChIKeyWEBLATZJSZCHFW-ZWKOTPCHSA-N
MW347.46 g/mol
LogP2.02
Rot. Bonds5

About 2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide

2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 100844132) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID100844132
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)N(C)Cc1ccc(C)o1
InChIInChI=1S/C19H29N3O3/c1-14-8-9-16(25-14)12-20(3)19(24)13-21-10-4-6-17(21)18-7-5-11-22(18)15(2)23/h8-9,17-18H,4-7,10-13H2,1-3H3/t17-,18+/m0/s1
InChIKeyWEBLATZJSZCHFW-ZWKOTPCHSA-N
XLogP2.02
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 95979309
1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197519
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27128819
2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]piperidin-2-yl]acetic acid
CID 61196959
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]acetamide
CID 56815341
2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 95318447
1-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 24561283
N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 34430725
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 9401664
(3S)-3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 94393772
2-[(2R)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 95612816
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(5-methyltetrazol-1-yl)acetamide
CID 56866880

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 100844132) is 2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)N(C)Cc1ccc(C)o1.
What is the InChIKey of 2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is WEBLATZJSZCHFW-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14-8-9-16(25-14)12-20(3)19(24)13-21-10-4-6-17(21)18-7-5-11-22(18)15(2)23/h8-9,17-18H,4-7,10-13H2,1-3H3/t17-,18+/m0/s1.
What are the key properties of 2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 100844132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).