(2S,4S)-4-methoxy-N,1-dimethyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide

C16H24N2O3 — CID 128975625

IUPAC(2S,4S)-4-methoxy-N,1-dimethyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)N(C)CCOc2ccccc2)N(C)C1
InChIInChI=1S/C16H24N2O3/c1-17(9-10-21-13-7-5-4-6-8-13)16(19)15-11-14(20-3)12-18(15)2/h4-8,14-15H,9-12H2,1-3H3/t14-,15-/m0/s1
InChIKeyFDRMJYWKJWLIQH-GJZGRUSLSA-N
MW292.38 g/mol
LogP1.24
Rot. Bonds6

About (2S,4S)-4-methoxy-N,1-dimethyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide

(2S,4S)-4-methoxy-N,1-dimethyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide (PubChem CID 128975625) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-N,1-dimethyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-N,1-dimethyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
PubChem CID128975625
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2S,4S)-4-methoxy-N,1-dimethyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)N(C)CCOc2ccccc2)N(C)C1
InChIInChI=1S/C16H24N2O3/c1-17(9-10-21-13-7-5-4-6-8-13)16(19)15-11-14(20-3)12-18(15)2/h4-8,14-15H,9-12H2,1-3H3/t14-,15-/m0/s1
InChIKeyFDRMJYWKJWLIQH-GJZGRUSLSA-N
XLogP1.24
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N,1-dimethylpyrrolidine-2-carboxamide
CID 128980206
(2S,4S)-1-methyl-4-phenoxypyrrolidine-2-carboxylic acid
CID 58778842
(3R)-2-ethylsulfonyl-N-methyl-N-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 30840248
(2S,4S)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-methoxy-N,1-dimethylpyrrolidine-2-carboxamide
CID 128975607
N,4-dimethyl-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide
CID 63714789
(2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 61164431
(2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617248
N-methyl-N-(2-phenoxyethyl)-1-sulfamoylpiperidine-4-carboxamide
CID 39912164
N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 61214201
(4S)-N,1-dimethyl-2-oxo-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 94168581
(2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 66986168
(2S,4S)-N-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
CID 128985685

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methoxy-N,1-dimethyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-methoxy-N,1-dimethyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide (CID 128975625) is (2S,4S)-4-methoxy-N,1-dimethyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-methoxy-N,1-dimethyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-methoxy-N,1-dimethyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(=O)N(C)CCOc2ccccc2)N(C)C1.
What is the InChIKey of (2S,4S)-4-methoxy-N,1-dimethyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide?
The InChIKey is FDRMJYWKJWLIQH-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-17(9-10-21-13-7-5-4-6-8-13)16(19)15-11-14(20-3)12-18(15)2/h4-8,14-15H,9-12H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-4-methoxy-N,1-dimethyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-methoxy-N,1-dimethyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methoxy-N,1-dimethyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 128975625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).