(3S,4R)-1-(cyclopropanecarbonyl)-N-ethyl-N-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

C21H30N2O5 — CID 93150251

IUPAC(3S,4R)-1-(cyclopropanecarbonyl)-N-ethyl-N-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCN(C)C(=O)[C@@H]1CN(C(=O)C2CC2)C[C@H]1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H30N2O5/c1-6-22(2)21(25)16-12-23(20(24)13-7-8-13)11-15(16)14-9-17(26-3)19(28-5)18(10-14)27-4/h9-10,13,15-16H,6-8,11-12H2,1-5H3/t15-,16+/m0/s1
InChIKeyJFOGNNIPLALWKJ-JKSUJKDBSA-N
MW390.48 g/mol
LogP2.14
Rot. Bonds7

About (3S,4R)-1-(cyclopropanecarbonyl)-N-ethyl-N-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

(3S,4R)-1-(cyclopropanecarbonyl)-N-ethyl-N-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 93150251) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is (3S,4R)-1-(cyclopropanecarbonyl)-N-ethyl-N-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-1-(cyclopropanecarbonyl)-N-ethyl-N-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID93150251
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC Name(3S,4R)-1-(cyclopropanecarbonyl)-N-ethyl-N-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCN(C)C(=O)[C@@H]1CN(C(=O)C2CC2)C[C@H]1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H30N2O5/c1-6-22(2)21(25)16-12-23(20(24)13-7-8-13)11-15(16)14-9-17(26-3)19(28-5)18(10-14)27-4/h9-10,13,15-16H,6-8,11-12H2,1-5H3/t15-,16+/m0/s1
InChIKeyJFOGNNIPLALWKJ-JKSUJKDBSA-N
XLogP2.14
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-1-(3,3-dimethylbutanoyl)-N-ethyl-N-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93150255
(3S,4R)-1-benzoyl-N-ethyl-N-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93150243
1-(2,4-dichlorobenzoyl)-N-ethyl-N-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 42680682
1-(cyclopentanecarbonyl)-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 42826298
(3R,4S)-1-(cyclopentanecarbonyl)-N-(2-methylpropyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93149829
N-ethyl-N-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 42825299
(3S,4R)-1-(cyclopentanecarbonyl)-N-(3-methoxypropyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 97479051
1-(cyclopropanecarbonyl)-4-(2,5-dimethoxyphenyl)-N,N-diethylpyrrolidine-3-carboxamide
CID 42830397
(3S,4R)-1-N-tert-butyl-3-N-(cyclopropylmethyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidine-1,3-dicarboxamide
CID 93150334
3,3-dimethyl-1-[(3S,4R)-3-(piperidine-1-carbonyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 93150194
(3S,4S)-3-N-butyl-1-N-ethyl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-1,3-dicarboxamide
CID 93150349
1-(cyclopropylcarbamothioyl)-N-ethyl-4-(3-methoxyphenyl)-N-methylpyrrolidine-3-carboxamide
CID 42830475

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(cyclopropanecarbonyl)-N-ethyl-N-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4R)-1-(cyclopropanecarbonyl)-N-ethyl-N-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (CID 93150251) is (3S,4R)-1-(cyclopropanecarbonyl)-N-ethyl-N-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4R)-1-(cyclopropanecarbonyl)-N-ethyl-N-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4R)-1-(cyclopropanecarbonyl)-N-ethyl-N-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is CCN(C)C(=O)[C@@H]1CN(C(=O)C2CC2)C[C@H]1c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (3S,4R)-1-(cyclopropanecarbonyl)-N-ethyl-N-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is JFOGNNIPLALWKJ-JKSUJKDBSA-N. The full InChI is InChI=1S/C21H30N2O5/c1-6-22(2)21(25)16-12-23(20(24)13-7-8-13)11-15(16)14-9-17(26-3)19(28-5)18(10-14)27-4/h9-10,13,15-16H,6-8,11-12H2,1-5H3/t15-,16+/m0/s1.
What are the key properties of (3S,4R)-1-(cyclopropanecarbonyl)-N-ethyl-N-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
(3S,4R)-1-(cyclopropanecarbonyl)-N-ethyl-N-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(cyclopropanecarbonyl)-N-ethyl-N-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 93150251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).