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

C16H24N2O4 — CID 128978970

IUPAC(2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1OCCN(C)C(=O)[C@@H]1C[C@H](OC)CN1
InChIInChI=1S/C16H24N2O4/c1-18(16(19)13-10-12(20-2)11-17-13)8-9-22-15-7-5-4-6-14(15)21-3/h4-7,12-13,17H,8-11H2,1-3H3/t12-,13-/m0/s1
InChIKeyBJTOUXMWZKXNPX-STQMWFEESA-N
MW308.38 g/mol
LogP0.91
Rot. Bonds7

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

(2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 128978970) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID128978970
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name(2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1OCCN(C)C(=O)[C@@H]1C[C@H](OC)CN1
InChIInChI=1S/C16H24N2O4/c1-18(16(19)13-10-12(20-2)11-17-13)8-9-22-15-7-5-4-6-14(15)21-3/h4-7,12-13,17H,8-11H2,1-3H3/t12-,13-/m0/s1
InChIKeyBJTOUXMWZKXNPX-STQMWFEESA-N
XLogP0.91
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 61214201
4-methoxy-N-methyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 61215235
(2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N,1-dimethylpyrrolidine-2-carboxamide
CID 128980206
N-(2-ethoxyethyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 81059751
2-[2-(2-methoxyphenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975195
N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119294048
4-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
CID 79494578
N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 119294067
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 61215363
4-methoxy-N-methyl-N-pent-4-enylpyrrolidine-2-carboxamide
CID 115753468
N-(2-hydroxypropyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 62335262
4-methoxy-N-(2-propoxyphenyl)pyrrolidine-2-carboxamide
CID 61214182

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide (CID 128978970) is (2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide is COc1ccccc1OCCN(C)C(=O)[C@@H]1C[C@H](OC)CN1.
What is the InChIKey of (2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is BJTOUXMWZKXNPX-STQMWFEESA-N. The full InChI is InChI=1S/C16H24N2O4/c1-18(16(19)13-10-12(20-2)11-17-13)8-9-22-15-7-5-4-6-14(15)21-3/h4-7,12-13,17H,8-11H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of (2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide?
(2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 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-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 128978970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).