(3S,4S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide

C18H28N2O4 — CID 110203568

IUPAC(3S,4S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCOC[C@@H]1CN(Cc2cc(OC)cc(OC)c2)C[C@H]1C(=O)N(C)C
InChIInChI=1S/C18H28N2O4/c1-19(2)18(21)17-11-20(10-14(17)12-22-3)9-13-6-15(23-4)8-16(7-13)24-5/h6-8,14,17H,9-12H2,1-5H3/t14-,17+/m0/s1
InChIKeyALCAYEKPJDBLCH-WMLDXEAASA-N
MW336.43 g/mol
LogP1.49
Rot. Bonds7

About (3S,4S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide

(3S,4S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide (PubChem CID 110203568) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is (3S,4S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide
PubChem CID110203568
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name(3S,4S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCOC[C@@H]1CN(Cc2cc(OC)cc(OC)c2)C[C@H]1C(=O)N(C)C
InChIInChI=1S/C18H28N2O4/c1-19(2)18(21)17-11-20(10-14(17)12-22-3)9-13-6-15(23-4)8-16(7-13)24-5/h6-8,14,17H,9-12H2,1-5H3/t14-,17+/m0/s1
InChIKeyALCAYEKPJDBLCH-WMLDXEAASA-N
XLogP1.49
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide (CID 110203568) is (3S,4S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide is COC[C@@H]1CN(Cc2cc(OC)cc(OC)c2)C[C@H]1C(=O)N(C)C.
What is the InChIKey of (3S,4S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide?
The InChIKey is ALCAYEKPJDBLCH-WMLDXEAASA-N. The full InChI is InChI=1S/C18H28N2O4/c1-19(2)18(21)17-11-20(10-14(17)12-22-3)9-13-6-15(23-4)8-16(7-13)24-5/h6-8,14,17H,9-12H2,1-5H3/t14-,17+/m0/s1.
What are the key properties of (3S,4S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide?
(3S,4S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110203568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).