2-[(3R,4S)-3-acetamido-4-propylpyrrolidin-1-yl]-N-cycloheptylacetamide

C18H33N3O2 — CID 72911123

IUPAC2-[(3R,4S)-3-acetamido-4-propylpyrrolidin-1-yl]-N-cycloheptylacetamide
SMILESCCC[C@H]1CN(CC(=O)NC2CCCCCC2)C[C@@H]1NC(C)=O
InChIInChI=1S/C18H33N3O2/c1-3-8-15-11-21(12-17(15)19-14(2)22)13-18(23)20-16-9-6-4-5-7-10-16/h15-17H,3-13H2,1-2H3,(H,19,22)(H,20,23)/t15-,17-/m0/s1
InChIKeyRAHGTZRUYXSKND-RDJZCZTQSA-N
MW323.48 g/mol
LogP2.06
Rot. Bonds6

About 2-[(3R,4S)-3-acetamido-4-propylpyrrolidin-1-yl]-N-cycloheptylacetamide

2-[(3R,4S)-3-acetamido-4-propylpyrrolidin-1-yl]-N-cycloheptylacetamide (PubChem CID 72911123) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-[(3R,4S)-3-acetamido-4-propylpyrrolidin-1-yl]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[(3R,4S)-3-acetamido-4-propylpyrrolidin-1-yl]-N-cycloheptylacetamide
PubChem CID72911123
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name2-[(3R,4S)-3-acetamido-4-propylpyrrolidin-1-yl]-N-cycloheptylacetamide
SMILESCCC[C@H]1CN(CC(=O)NC2CCCCCC2)C[C@@H]1NC(C)=O
InChIInChI=1S/C18H33N3O2/c1-3-8-15-11-21(12-17(15)19-14(2)22)13-18(23)20-16-9-6-4-5-7-10-16/h15-17H,3-13H2,1-2H3,(H,19,22)(H,20,23)/t15-,17-/m0/s1
InChIKeyRAHGTZRUYXSKND-RDJZCZTQSA-N
XLogP2.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminoazetidin-1-yl)-N-cycloheptylacetamide
CID 63760720
2-(4-amino-3-ethylpiperidin-1-yl)-N-cycloheptylacetamide
CID 81458998
N-cyclopentyl-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63090926
N-cyclooctyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2446989
N-cycloheptyl-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride
CID 119924112
2-[1-[2-(cycloheptylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64616897
2-(3-acetylpiperidin-1-yl)-N-cyclohexylacetamide
CID 55256614
N-cyclooctyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918786
1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904852
N-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 112628204
N-cycloheptyl-2-[(3R,4S)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidin-1-yl]acetamide
CID 72888251
N-cyclopentyl-3-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]propanamide;dihydrochloride
CID 154898990

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-acetamido-4-propylpyrrolidin-1-yl]-N-cycloheptylacetamide?
The IUPAC name of 2-[(3R,4S)-3-acetamido-4-propylpyrrolidin-1-yl]-N-cycloheptylacetamide (CID 72911123) is 2-[(3R,4S)-3-acetamido-4-propylpyrrolidin-1-yl]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[(3R,4S)-3-acetamido-4-propylpyrrolidin-1-yl]-N-cycloheptylacetamide?
The canonical SMILES for 2-[(3R,4S)-3-acetamido-4-propylpyrrolidin-1-yl]-N-cycloheptylacetamide is CCC[C@H]1CN(CC(=O)NC2CCCCCC2)C[C@@H]1NC(C)=O.
What is the InChIKey of 2-[(3R,4S)-3-acetamido-4-propylpyrrolidin-1-yl]-N-cycloheptylacetamide?
The InChIKey is RAHGTZRUYXSKND-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-3-8-15-11-21(12-17(15)19-14(2)22)13-18(23)20-16-9-6-4-5-7-10-16/h15-17H,3-13H2,1-2H3,(H,19,22)(H,20,23)/t15-,17-/m0/s1.
What are the key properties of 2-[(3R,4S)-3-acetamido-4-propylpyrrolidin-1-yl]-N-cycloheptylacetamide?
2-[(3R,4S)-3-acetamido-4-propylpyrrolidin-1-yl]-N-cycloheptylacetamide has a molecular weight of 323.48 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-acetamido-4-propylpyrrolidin-1-yl]-N-cycloheptylacetamide is sourced from PubChem (CID 72911123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).