N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide

C15H22N2O2 — CID 81373361

IUPACN-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide
SMILESCOc1cccc([C@H](C)NC(=O)C2(C)CCNC2)c1
InChIInChI=1S/C15H22N2O2/c1-11(12-5-4-6-13(9-12)19-3)17-14(18)15(2)7-8-16-10-15/h4-6,9,11,16H,7-8,10H2,1-3H3,(H,17,18)/t11-,15?/m0/s1
InChIKeyJAHTVYWDVYHJEG-VPHXOMNUSA-N
MW262.35 g/mol
LogP1.87
Rot. Bonds4

About N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide

N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide (PubChem CID 81373361) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide
PubChem CID81373361
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide
SMILESCOc1cccc([C@H](C)NC(=O)C2(C)CCNC2)c1
InChIInChI=1S/C15H22N2O2/c1-11(12-5-4-6-13(9-12)19-3)17-14(18)15(2)7-8-16-10-15/h4-6,9,11,16H,7-8,10H2,1-3H3,(H,17,18)/t11-,15?/m0/s1
InChIKeyJAHTVYWDVYHJEG-VPHXOMNUSA-N
XLogP1.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 78952958
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119720011
3-methyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63139771
N-[1-(3-acetamidophenyl)ethyl]-3-methylpiperidine-3-carboxamide
CID 119944327
4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 119721118
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656407
4-(methoxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 120622091
N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpiperidine-4-carboxamide
CID 63122554
N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81373014
N-[2-(3-methoxyphenoxy)propyl]-3-methylpiperidine-3-carboxamide
CID 136516553
2-(1-aminocyclopentyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 81373583
N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-dimethylpiperazine-1-carboxamide
CID 144586380

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide (CID 81373361) is N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide is COc1cccc([C@H](C)NC(=O)C2(C)CCNC2)c1.
What is the InChIKey of N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide?
The InChIKey is JAHTVYWDVYHJEG-VPHXOMNUSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(12-5-4-6-13(9-12)19-3)17-14(18)15(2)7-8-16-10-15/h4-6,9,11,16H,7-8,10H2,1-3H3,(H,17,18)/t11-,15?/m0/s1.
What are the key properties of N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide?
N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 81373361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).