N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxamide

C15H22N2O2 — CID 81364307

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)C2(C)CCCN2)cc1
InChIInChI=1S/C15H22N2O2/c1-11(12-5-7-13(19-3)8-6-12)17-14(18)15(2)9-4-10-16-15/h5-8,11,16H,4,9-10H2,1-3H3,(H,17,18)/t11-,15?/m0/s1
InChIKeyYJIPUSVDFBXIGC-VPHXOMNUSA-N
MW262.35 g/mol
LogP2.01
Rot. Bonds4

About N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxamide

N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxamide (PubChem CID 81364307) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxamide
PubChem CID81364307
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)C2(C)CCCN2)cc1
InChIInChI=1S/C15H22N2O2/c1-11(12-5-7-13(19-3)8-6-12)17-14(18)15(2)9-4-10-16-15/h5-8,11,16H,4,9-10H2,1-3H3,(H,17,18)/t11-,15?/m0/s1
InChIKeyYJIPUSVDFBXIGC-VPHXOMNUSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide
CID 104597060
(2S)-2-methyl-N-(1-naphthalen-2-ylethyl)pyrrolidine-2-carboxamide
CID 141351308
2-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrrolidine-2-carboxamide
CID 81410580
4-[(1S)-1-[[(2R)-2-methylpiperidine-2-carbonyl]amino]ethyl]benzoic acid;hydrochloride
CID 174801370
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide
CID 104597078
1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119706519
1-(aminomethyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 115448741
2-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81379976
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-2-carboxamide
CID 132850278
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methylcyclopentane-1-carboxamide
CID 82767463
2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide
CID 104597062
N-[1-(4-methoxyphenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 110437540

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxamide (CID 81364307) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxamide is COc1ccc([C@H](C)NC(=O)C2(C)CCCN2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxamide?
The InChIKey is YJIPUSVDFBXIGC-VPHXOMNUSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(12-5-7-13(19-3)8-6-12)17-14(18)15(2)9-4-10-16-15/h5-8,11,16H,4,9-10H2,1-3H3,(H,17,18)/t11-,15?/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxamide?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 81364307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).