(2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N,1-dimethylpyrrolidine-2-carboxamide

C17H26N2O4 — CID 128980206

IUPAC(2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N,1-dimethylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1OCCN(C)C(=O)[C@@H]1C[C@H](OC)CN1C
InChIInChI=1S/C17H26N2O4/c1-18(17(20)14-11-13(21-3)12-19(14)2)9-10-23-16-8-6-5-7-15(16)22-4/h5-8,13-14H,9-12H2,1-4H3/t13-,14-/m0/s1
InChIKeyGRUDOPNEHSAUEL-KBPBESRZSA-N
MW322.40 g/mol
LogP1.25
Rot. Bonds7

About (2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N,1-dimethylpyrrolidine-2-carboxamide

(2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N,1-dimethylpyrrolidine-2-carboxamide (PubChem CID 128980206) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N,1-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N,1-dimethylpyrrolidine-2-carboxamide
PubChem CID128980206
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name(2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N,1-dimethylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1OCCN(C)C(=O)[C@@H]1C[C@H](OC)CN1C
InChIInChI=1S/C17H26N2O4/c1-18(17(20)14-11-13(21-3)12-19(14)2)9-10-23-16-8-6-5-7-15(16)22-4/h5-8,13-14H,9-12H2,1-4H3/t13-,14-/m0/s1
InChIKeyGRUDOPNEHSAUEL-KBPBESRZSA-N
XLogP1.25
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-4-methoxy-N,1-dimethyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 128975625
(2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 128978970
2-[2-(2-methoxyphenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975195
(2S,4S)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-methoxy-N,1-dimethylpyrrolidine-2-carboxamide
CID 128975607
N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119294048
N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 119294067
2-amino-N-[2-(2-methoxyphenoxy)ethyl]-N-methylacetamide;hydrochloride
CID 119294047
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-4-(2-methoxyphenyl)-N,3-dimethylbut-2-enamide
CID 154796308
(1S,3S,4S)-3-amino-4-hydroxy-N-[3-(2-methoxyphenoxy)propyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 155937908
1-(4-fluorophenyl)sulfonyl-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 55897208
2-amino-3-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpropanamide
CID 120986832
3-(2-methoxyphenoxy)propanoyl chloride
CID 82040752

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N,1-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N,1-dimethylpyrrolidine-2-carboxamide (CID 128980206) is (2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N,1-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N,1-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N,1-dimethylpyrrolidine-2-carboxamide is COc1ccccc1OCCN(C)C(=O)[C@@H]1C[C@H](OC)CN1C.
What is the InChIKey of (2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N,1-dimethylpyrrolidine-2-carboxamide?
The InChIKey is GRUDOPNEHSAUEL-KBPBESRZSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-18(17(20)14-11-13(21-3)12-19(14)2)9-10-23-16-8-6-5-7-15(16)22-4/h5-8,13-14H,9-12H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of (2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N,1-dimethylpyrrolidine-2-carboxamide?
(2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N,1-dimethylpyrrolidine-2-carboxamide has a molecular weight of 322.40 g/mol, XLogP of 1.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N,1-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 128980206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).