2-[(1-benzylpyrrolidin-3-yl)amino]-N-tert-butylacetamide

C17H27N3O — CID 78913239

IUPAC2-[(1-benzylpyrrolidin-3-yl)amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H27N3O/c1-17(2,3)19-16(21)11-18-15-9-10-20(13-15)12-14-7-5-4-6-8-14/h4-8,15,18H,9-13H2,1-3H3,(H,19,21)
InChIKeyMCCBJCOMDQLPPE-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.77
Rot. Bonds5

About 2-[(1-benzylpyrrolidin-3-yl)amino]-N-tert-butylacetamide

2-[(1-benzylpyrrolidin-3-yl)amino]-N-tert-butylacetamide (PubChem CID 78913239) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[(1-benzylpyrrolidin-3-yl)amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(1-benzylpyrrolidin-3-yl)amino]-N-tert-butylacetamide
PubChem CID78913239
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[(1-benzylpyrrolidin-3-yl)amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H27N3O/c1-17(2,3)19-16(21)11-18-15-9-10-20(13-15)12-14-7-5-4-6-8-14/h4-8,15,18H,9-13H2,1-3H3,(H,19,21)
InChIKeyMCCBJCOMDQLPPE-UHFFFAOYSA-N
XLogP1.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
CID 66564975
N-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]acetamide
CID 61212881
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
[(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate
CID 175027236
3-[2-[(1-benzylpyrrolidin-3-yl)amino]ethyl]-1,1-dimethylurea
CID 83108275
1-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpentan-2-ol
CID 103709849
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
2-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpropan-1-ol
CID 45283387
N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide
CID 62833579
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)-3,3-dimethylbutanamide;dihydrochloride
CID 119831710
2-amino-N-(1-benzylpyrrolidin-3-yl)-2-methylpentanamide
CID 60847713

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpyrrolidin-3-yl)amino]-N-tert-butylacetamide?
The IUPAC name of 2-[(1-benzylpyrrolidin-3-yl)amino]-N-tert-butylacetamide (CID 78913239) is 2-[(1-benzylpyrrolidin-3-yl)amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(1-benzylpyrrolidin-3-yl)amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(1-benzylpyrrolidin-3-yl)amino]-N-tert-butylacetamide is CC(C)(C)NC(=O)CNC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 2-[(1-benzylpyrrolidin-3-yl)amino]-N-tert-butylacetamide?
The InChIKey is MCCBJCOMDQLPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(2,3)19-16(21)11-18-15-9-10-20(13-15)12-14-7-5-4-6-8-14/h4-8,15,18H,9-13H2,1-3H3,(H,19,21).
What are the key properties of 2-[(1-benzylpyrrolidin-3-yl)amino]-N-tert-butylacetamide?
2-[(1-benzylpyrrolidin-3-yl)amino]-N-tert-butylacetamide has a molecular weight of 289.42 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpyrrolidin-3-yl)amino]-N-tert-butylacetamide is sourced from PubChem (CID 78913239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).