N-[(3-acetamido-1-benzylpyrrolidin-3-yl)methyl]acetamide

C16H23N3O2 — CID 126807065

IUPACN-[(3-acetamido-1-benzylpyrrolidin-3-yl)methyl]acetamide
SMILESCC(=O)NCC1(NC(C)=O)CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H23N3O2/c1-13(20)17-11-16(18-14(2)21)8-9-19(12-16)10-15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyKIWSIWHBXBPCIP-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.90
Rot. Bonds5

About N-[(3-acetamido-1-benzylpyrrolidin-3-yl)methyl]acetamide

N-[(3-acetamido-1-benzylpyrrolidin-3-yl)methyl]acetamide (PubChem CID 126807065) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(3-acetamido-1-benzylpyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-acetamido-1-benzylpyrrolidin-3-yl)methyl]acetamide
PubChem CID126807065
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(3-acetamido-1-benzylpyrrolidin-3-yl)methyl]acetamide
SMILESCC(=O)NCC1(NC(C)=O)CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H23N3O2/c1-13(20)17-11-16(18-14(2)21)8-9-19(12-16)10-15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyKIWSIWHBXBPCIP-UHFFFAOYSA-N
XLogP0.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
CID 71268606
methyl 2-[1-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]acetate
CID 164729551
N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 130485423
N-(4-benzyl-1-methylpiperidin-4-yl)acetamide;ethane
CID 142327017
N-[[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 165352141
N-[1-benzyl-3-(hydroxymethyl)pyrrolidin-3-yl]-methylboronamidic acid;ethane
CID 91360741
1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride
CID 19382170
N-(4-benzyl-1-propan-2-ylpiperidin-4-yl)acetamide
CID 134505417
N-[3-[[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 75494688
N-[1-benzyl-4-(3-fluorophenyl)piperidin-4-yl]acetamide
CID 68830269
N-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]acetamide
CID 139918944
1-benzyl-3-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 159201320

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamido-1-benzylpyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of N-[(3-acetamido-1-benzylpyrrolidin-3-yl)methyl]acetamide (CID 126807065) is N-[(3-acetamido-1-benzylpyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(3-acetamido-1-benzylpyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for N-[(3-acetamido-1-benzylpyrrolidin-3-yl)methyl]acetamide is CC(=O)NCC1(NC(C)=O)CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(3-acetamido-1-benzylpyrrolidin-3-yl)methyl]acetamide?
The InChIKey is KIWSIWHBXBPCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(20)17-11-16(18-14(2)21)8-9-19(12-16)10-15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[(3-acetamido-1-benzylpyrrolidin-3-yl)methyl]acetamide?
N-[(3-acetamido-1-benzylpyrrolidin-3-yl)methyl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamido-1-benzylpyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 126807065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).