4-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide

C15H22N2O3 — CID 81373074

IUPAC4-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1cccc([C@@H](C)NC(=O)C2CC(OC)CN2)c1
InChIInChI=1S/C15H22N2O3/c1-10(11-5-4-6-12(7-11)19-2)17-15(18)14-8-13(20-3)9-16-14/h4-7,10,13-14,16H,8-9H2,1-3H3,(H,17,18)/t10-,13?,14?/m1/s1
InChIKeyMWBPIYYDHYBWQJ-GWMXKSKGSA-N
MW278.35 g/mol
LogP1.25
Rot. Bonds5

About 4-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide

4-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 81373074) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID81373074
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1cccc([C@@H](C)NC(=O)C2CC(OC)CN2)c1
InChIInChI=1S/C15H22N2O3/c1-10(11-5-4-6-12(7-11)19-2)17-15(18)14-8-13(20-3)9-16-14/h4-7,10,13-14,16H,8-9H2,1-3H3,(H,17,18)/t10-,13?,14?/m1/s1
InChIKeyMWBPIYYDHYBWQJ-GWMXKSKGSA-N
XLogP1.25
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 81366720
4-methoxy-N-(1-phenylethyl)pyrrolidine-2-carboxamide
CID 61214153
4-methoxy-N-[1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 61213616
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 81349681
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107437229
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107437231
N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280218
N-[1-(furan-2-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 61213451
4-methoxy-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 61260072
N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81373014
N-[1-(3-chlorophenyl)propyl]-4-methoxypyrrolidine-2-carboxamide
CID 61214763
N-[1-(3-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 55229579

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide (CID 81373074) is 4-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide is COc1cccc([C@@H](C)NC(=O)C2CC(OC)CN2)c1.
What is the InChIKey of 4-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is MWBPIYYDHYBWQJ-GWMXKSKGSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(11-5-4-6-12(7-11)19-2)17-15(18)14-8-13(20-3)9-16-14/h4-7,10,13-14,16H,8-9H2,1-3H3,(H,17,18)/t10-,13?,14?/m1/s1.
What are the key properties of 4-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
4-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 81373074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).