2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide

C19H29N3O — CID 133112119

IUPAC2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCN(C)[C@@H]1CN(CC(=O)NCCc2ccccc2)C[C@H]1C1CC1
InChIInChI=1S/C19H29N3O/c1-21(2)18-13-22(12-17(18)16-8-9-16)14-19(23)20-11-10-15-6-4-3-5-7-15/h3-7,16-18H,8-14H2,1-2H3,(H,20,23)/t17-,18+/m0/s1
InChIKeyJZPHXGWOOHHEEY-ZWKOTPCHSA-N
MW315.46 g/mol
LogP1.62
Rot. Bonds7

About 2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide

2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 133112119) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID133112119
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCN(C)[C@@H]1CN(CC(=O)NCCc2ccccc2)C[C@H]1C1CC1
InChIInChI=1S/C19H29N3O/c1-21(2)18-13-22(12-17(18)16-8-9-16)14-19(23)20-11-10-15-6-4-3-5-7-15/h3-7,16-18H,8-14H2,1-2H3,(H,20,23)/t17-,18+/m0/s1
InChIKeyJZPHXGWOOHHEEY-ZWKOTPCHSA-N
XLogP1.62
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylethyl)acetamide;oxalic acid
CID 16807058
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 62063230
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-phenylethyl)acetamide
CID 81451615
2-(4-formylpiperidin-1-yl)-N-(2-phenylethyl)acetamide
CID 62656271
2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 133127289
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9436562
3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide;dihydrochloride
CID 154899537
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 91841682
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 124852434
2-(3-methylpiperazin-1-yl)-N-(3-phenylpropyl)acetamide
CID 65449797
(3S,4R)-3-(dimethylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide
CID 72857475
N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95313734

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide (CID 133112119) is 2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide is CN(C)[C@@H]1CN(CC(=O)NCCc2ccccc2)C[C@H]1C1CC1.
What is the InChIKey of 2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is JZPHXGWOOHHEEY-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H29N3O/c1-21(2)18-13-22(12-17(18)16-8-9-16)14-19(23)20-11-10-15-6-4-3-5-7-15/h3-7,16-18H,8-14H2,1-2H3,(H,20,23)/t17-,18+/m0/s1.
What are the key properties of 2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide?
2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 315.46 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 133112119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).