(3R,4R)-1-benzoyl-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide

C22H26N2O3 — CID 93150886

IUPAC(3R,4R)-1-benzoyl-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCOc1cccc([C@@H]2CN(C(=O)c3ccccc3)C[C@@H]2C(=O)NC(C)C)c1
InChIInChI=1S/C22H26N2O3/c1-15(2)23-21(25)20-14-24(22(26)16-8-5-4-6-9-16)13-19(20)17-10-7-11-18(12-17)27-3/h4-12,15,19-20H,13-14H2,1-3H3,(H,23,25)/t19-,20-/m0/s1
InChIKeyZJANCYMGOYHNCM-PMACEKPBSA-N
MW366.46 g/mol
LogP3.08
Rot. Bonds5

About (3R,4R)-1-benzoyl-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide

(3R,4R)-1-benzoyl-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 93150886) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (3R,4R)-1-benzoyl-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-1-benzoyl-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID93150886
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(3R,4R)-1-benzoyl-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCOc1cccc([C@@H]2CN(C(=O)c3ccccc3)C[C@@H]2C(=O)NC(C)C)c1
InChIInChI=1S/C22H26N2O3/c1-15(2)23-21(25)20-14-24(22(26)16-8-5-4-6-9-16)13-19(20)17-10-7-11-18(12-17)27-3/h4-12,15,19-20H,13-14H2,1-3H3,(H,23,25)/t19-,20-/m0/s1
InChIKeyZJANCYMGOYHNCM-PMACEKPBSA-N
XLogP3.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 42680866
(3S,4R)-1-(3-methoxybenzoyl)-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93149034
(3S,4R)-1-benzoyl-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 93152505
(3R,4S)-1-benzoyl-4-(2,5-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 93150584
(3S,4R)-1-benzoyl-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93149858
N-cyclopropyl-1-(3-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42826733
1-benzoyl-N,N-diethyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42830442
N-cyclopropyl-1-(4-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42680870
N-benzyl-1-(4-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42680858
(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-(3-methoxybenzoyl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42826709

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzoyl-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-1-benzoyl-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide (CID 93150886) is (3R,4R)-1-benzoyl-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-1-benzoyl-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-1-benzoyl-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide is COc1cccc([C@@H]2CN(C(=O)c3ccccc3)C[C@@H]2C(=O)NC(C)C)c1.
What is the InChIKey of (3R,4R)-1-benzoyl-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is ZJANCYMGOYHNCM-PMACEKPBSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15(2)23-21(25)20-14-24(22(26)16-8-5-4-6-9-16)13-19(20)17-10-7-11-18(12-17)27-3/h4-12,15,19-20H,13-14H2,1-3H3,(H,23,25)/t19-,20-/m0/s1.
What are the key properties of (3R,4R)-1-benzoyl-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
(3R,4R)-1-benzoyl-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzoyl-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 93150886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).