N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-pyrrolidin-2-ylacetamide

C17H27N3O — CID 119859537

IUPACN-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-pyrrolidin-2-ylacetamide
SMILESCN(C)CC(Cc1ccccc1)NC(=O)CC1CCCN1
InChIInChI=1S/C17H27N3O/c1-20(2)13-16(11-14-7-4-3-5-8-14)19-17(21)12-15-9-6-10-18-15/h3-5,7-8,15-16,18H,6,9-13H2,1-2H3,(H,19,21)
InChIKeyGLJRGALAFPILGL-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.42
Rot. Bonds7

About N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-pyrrolidin-2-ylacetamide

N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119859537) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-pyrrolidin-2-ylacetamide
PubChem CID119859537
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-pyrrolidin-2-ylacetamide
SMILESCN(C)CC(Cc1ccccc1)NC(=O)CC1CCCN1
InChIInChI=1S/C17H27N3O/c1-20(2)13-16(11-14-7-4-3-5-8-14)19-17(21)12-15-9-6-10-18-15/h3-5,7-8,15-16,18H,6,9-13H2,1-2H3,(H,19,21)
InChIKeyGLJRGALAFPILGL-UHFFFAOYSA-N
XLogP1.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119859518
N,3-diphenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119780429
N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrrolidin-2-ylacetamide
CID 114010293
1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628917
1-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628915
1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 60544383
N-(2,3-diphenylpropyl)-2-pyrrolidin-2-ylacetamide
CID 119803974
N-[2-[benzyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide
CID 119885733
N-(1-hydroxy-3-phenylpropan-2-yl)-3-piperidin-2-ylpropanamide
CID 63261362
N-[1-(4-phenylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119685566
N-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide
CID 61365271
methyl 2-phenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]acetate;hydrochloride
CID 119707961

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-pyrrolidin-2-ylacetamide (CID 119859537) is N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-pyrrolidin-2-ylacetamide is CN(C)CC(Cc1ccccc1)NC(=O)CC1CCCN1.
What is the InChIKey of N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is GLJRGALAFPILGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-20(2)13-16(11-14-7-4-3-5-8-14)19-17(21)12-15-9-6-10-18-15/h3-5,7-8,15-16,18H,6,9-13H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-pyrrolidin-2-ylacetamide?
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 289.42 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119859537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).