(3S,4S)-N-(3-methoxyphenyl)-N,4-dimethylpyrrolidine-3-carboxamide

C14H20N2O2 — CID 114084877

IUPAC(3S,4S)-N-(3-methoxyphenyl)-N,4-dimethylpyrrolidine-3-carboxamide
SMILESCOc1cccc(N(C)C(=O)[C@@H]2CNC[C@H]2C)c1
InChIInChI=1S/C14H20N2O2/c1-10-8-15-9-13(10)14(17)16(2)11-5-4-6-12(7-11)18-3/h4-7,10,13,15H,8-9H2,1-3H3/t10-,13-/m1/s1
InChIKeyARAVGHNKVUOJES-ZWNOBZJWSA-N
MW248.33 g/mol
LogP1.51
Rot. Bonds3

About (3S,4S)-N-(3-methoxyphenyl)-N,4-dimethylpyrrolidine-3-carboxamide

(3S,4S)-N-(3-methoxyphenyl)-N,4-dimethylpyrrolidine-3-carboxamide (PubChem CID 114084877) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3S,4S)-N-(3-methoxyphenyl)-N,4-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-(3-methoxyphenyl)-N,4-dimethylpyrrolidine-3-carboxamide
PubChem CID114084877
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3S,4S)-N-(3-methoxyphenyl)-N,4-dimethylpyrrolidine-3-carboxamide
SMILESCOc1cccc(N(C)C(=O)[C@@H]2CNC[C@H]2C)c1
InChIInChI=1S/C14H20N2O2/c1-10-8-15-9-13(10)14(17)16(2)11-5-4-6-12(7-11)18-3/h4-7,10,13,15H,8-9H2,1-3H3/t10-,13-/m1/s1
InChIKeyARAVGHNKVUOJES-ZWNOBZJWSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,6R)-6-[(3-methoxyphenyl)-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962351
(3R)-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 81140173
2-(azetidin-3-yl)-N-(3-methoxyphenyl)-N-methylpropanamide
CID 116677580
(3-methoxyphenyl)methyl (3S,4S)-4-methylpyrrolidine-3-carboxylate
CID 98541212
(3S,4R)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762171
1-(azetidin-3-yl)-N-(3-methoxyphenyl)-N-methyltriazole-4-carboxamide
CID 79318707
N-[1-(3-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 55229579
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid
CID 62003468
N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide
CID 63716135
N,4-dimethyl-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide
CID 63714789

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-(3-methoxyphenyl)-N,4-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-(3-methoxyphenyl)-N,4-dimethylpyrrolidine-3-carboxamide (CID 114084877) is (3S,4S)-N-(3-methoxyphenyl)-N,4-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-(3-methoxyphenyl)-N,4-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-(3-methoxyphenyl)-N,4-dimethylpyrrolidine-3-carboxamide is COc1cccc(N(C)C(=O)[C@@H]2CNC[C@H]2C)c1.
What is the InChIKey of (3S,4S)-N-(3-methoxyphenyl)-N,4-dimethylpyrrolidine-3-carboxamide?
The InChIKey is ARAVGHNKVUOJES-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-8-15-9-13(10)14(17)16(2)11-5-4-6-12(7-11)18-3/h4-7,10,13,15H,8-9H2,1-3H3/t10-,13-/m1/s1.
What are the key properties of (3S,4S)-N-(3-methoxyphenyl)-N,4-dimethylpyrrolidine-3-carboxamide?
(3S,4S)-N-(3-methoxyphenyl)-N,4-dimethylpyrrolidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-(3-methoxyphenyl)-N,4-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114084877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).