(3R,4S)-4-(2,5-dimethoxyphenyl)-1-(4-methoxybenzoyl)-N-propan-2-ylpyrrolidine-3-carboxamide

C24H30N2O5 — CID 93150576

IUPAC(3R,4S)-4-(2,5-dimethoxyphenyl)-1-(4-methoxybenzoyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2C[C@H](C(=O)NC(C)C)[C@@H](c3cc(OC)ccc3OC)C2)cc1
InChIInChI=1S/C24H30N2O5/c1-15(2)25-23(27)21-14-26(24(28)16-6-8-17(29-3)9-7-16)13-20(21)19-12-18(30-4)10-11-22(19)31-5/h6-12,15,20-21H,13-14H2,1-5H3,(H,25,27)/t20-,21+/m1/s1
InChIKeyKPABZHQHKNOUAE-RTWAWAEBSA-N
MW426.51 g/mol
LogP3.09
Rot. Bonds7

About (3R,4S)-4-(2,5-dimethoxyphenyl)-1-(4-methoxybenzoyl)-N-propan-2-ylpyrrolidine-3-carboxamide

(3R,4S)-4-(2,5-dimethoxyphenyl)-1-(4-methoxybenzoyl)-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 93150576) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is (3R,4S)-4-(2,5-dimethoxyphenyl)-1-(4-methoxybenzoyl)-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-4-(2,5-dimethoxyphenyl)-1-(4-methoxybenzoyl)-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID93150576
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name(3R,4S)-4-(2,5-dimethoxyphenyl)-1-(4-methoxybenzoyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2C[C@H](C(=O)NC(C)C)[C@@H](c3cc(OC)ccc3OC)C2)cc1
InChIInChI=1S/C24H30N2O5/c1-15(2)25-23(27)21-14-26(24(28)16-6-8-17(29-3)9-7-16)13-20(21)19-12-18(30-4)10-11-22(19)31-5/h6-12,15,20-21H,13-14H2,1-5H3,(H,25,27)/t20-,21+/m1/s1
InChIKeyKPABZHQHKNOUAE-RTWAWAEBSA-N
XLogP3.09
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-4-(2,5-dimethoxyphenyl)-1-(4-fluorobenzoyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 93150566
(3R,4S)-1-benzoyl-4-(2,5-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 93150584
(3R,4S)-1-(4-methoxybenzoyl)-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93149849
(3S,4R)-1-(4-methoxybenzoyl)-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93149850
1-(2,4-dichlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 42826667
(3R,4S)-4-(2,5-dimethoxyphenyl)-1-(4-methoxybenzoyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 93153767
4-(2,5-dimethoxyphenyl)-1-(4-fluorobenzoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 42680728
1-(4-chlorobenzoyl)-4-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 42680739
4-(2,5-dimethoxyphenyl)-1-(4-methoxybenzoyl)-N-(3-methoxypropyl)pyrrolidine-3-carboxamide
CID 42680777
(3R,4R)-4-(2,5-dimethoxyphenyl)-1-(4-methoxybenzoyl)-N-(3-methoxypropyl)pyrrolidine-3-carboxamide
CID 93150626
N-cyclopropyl-4-(2,5-dimethoxyphenyl)-1-(4-methylbenzoyl)pyrrolidine-3-carboxamide
CID 42826669
4-(2,5-dimethoxyphenyl)-N-ethyl-1-(4-methoxybenzoyl)-N-methylpyrrolidine-3-carboxamide
CID 42681611

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(2,5-dimethoxyphenyl)-1-(4-methoxybenzoyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-4-(2,5-dimethoxyphenyl)-1-(4-methoxybenzoyl)-N-propan-2-ylpyrrolidine-3-carboxamide (CID 93150576) is (3R,4S)-4-(2,5-dimethoxyphenyl)-1-(4-methoxybenzoyl)-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-4-(2,5-dimethoxyphenyl)-1-(4-methoxybenzoyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-4-(2,5-dimethoxyphenyl)-1-(4-methoxybenzoyl)-N-propan-2-ylpyrrolidine-3-carboxamide is COc1ccc(C(=O)N2C[C@H](C(=O)NC(C)C)[C@@H](c3cc(OC)ccc3OC)C2)cc1.
What is the InChIKey of (3R,4S)-4-(2,5-dimethoxyphenyl)-1-(4-methoxybenzoyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is KPABZHQHKNOUAE-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-15(2)25-23(27)21-14-26(24(28)16-6-8-17(29-3)9-7-16)13-20(21)19-12-18(30-4)10-11-22(19)31-5/h6-12,15,20-21H,13-14H2,1-5H3,(H,25,27)/t20-,21+/m1/s1.
What are the key properties of (3R,4S)-4-(2,5-dimethoxyphenyl)-1-(4-methoxybenzoyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
(3R,4S)-4-(2,5-dimethoxyphenyl)-1-(4-methoxybenzoyl)-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 426.51 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(2,5-dimethoxyphenyl)-1-(4-methoxybenzoyl)-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 93150576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).