(2S,4S)-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrrolidine-2-carboxamide

C16H24N2O3 — CID 128980178

IUPAC(2S,4S)-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrrolidine-2-carboxamide
SMILESCOCc1cccc(CNC(=O)[C@@H]2C[C@H](OC)CN2C)c1
InChIInChI=1S/C16H24N2O3/c1-18-10-14(21-3)8-15(18)16(19)17-9-12-5-4-6-13(7-12)11-20-2/h4-7,14-15H,8-11H2,1-3H3,(H,17,19)/t14-,15-/m0/s1
InChIKeyYMIAGLFHCDBZRA-GJZGRUSLSA-N
MW292.38 g/mol
LogP1.17
Rot. Bonds6

About (2S,4S)-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrrolidine-2-carboxamide

(2S,4S)-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 128980178) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrrolidine-2-carboxamide
PubChem CID128980178
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2S,4S)-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrrolidine-2-carboxamide
SMILESCOCc1cccc(CNC(=O)[C@@H]2C[C@H](OC)CN2C)c1
InChIInChI=1S/C16H24N2O3/c1-18-10-14(21-3)8-15(18)16(19)17-9-12-5-4-6-13(7-12)11-20-2/h4-7,14-15H,8-11H2,1-3H3,(H,17,19)/t14-,15-/m0/s1
InChIKeyYMIAGLFHCDBZRA-GJZGRUSLSA-N
XLogP1.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-methoxy-1-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 128980218
trans-methyl (1S,2S)-2-[[3-(methoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylate
CID 99816213
(2S,4S)-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128985689
(2S,4S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128975644
(2S,4S)-4-methoxy-1-methyl-N-(2-pyrrol-1-ylethyl)pyrrolidine-2-carboxamide
CID 128985002
3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 104587859
(3R)-N-[[3-(methoxymethyl)phenyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 94820599
(2S,5R)-5-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120786945
ethyl 4-[[3-(methoxymethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate
CID 46470868
2-(2-methoxyethylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 79282648
4-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 114428577
2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 54896557

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrrolidine-2-carboxamide (CID 128980178) is (2S,4S)-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrrolidine-2-carboxamide is COCc1cccc(CNC(=O)[C@@H]2C[C@H](OC)CN2C)c1.
What is the InChIKey of (2S,4S)-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrrolidine-2-carboxamide?
The InChIKey is YMIAGLFHCDBZRA-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-18-10-14(21-3)8-15(18)16(19)17-9-12-5-4-6-13(7-12)11-20-2/h4-7,14-15H,8-11H2,1-3H3,(H,17,19)/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrrolidine-2-carboxamide?
(2S,4S)-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 128980178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).