(3S,4R)-N-cyclopropyl-4-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide

C19H26N2O3 — CID 97478904

IUPAC(3S,4R)-N-cyclopropyl-4-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc([C@@H]2CN(C(=O)C(C)C)C[C@H]2C(=O)NC2CC2)cc1
InChIInChI=1S/C19H26N2O3/c1-12(2)19(23)21-10-16(13-4-8-15(24-3)9-5-13)17(11-21)18(22)20-14-6-7-14/h4-5,8-9,12,14,16-17H,6-7,10-11H2,1-3H3,(H,20,22)/t16-,17+/m0/s1
InChIKeyIFIJFLOEYBBZIQ-DLBZAZTESA-N
MW330.43 g/mol
LogP2.17
Rot. Bonds5

About (3S,4R)-N-cyclopropyl-4-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide

(3S,4R)-N-cyclopropyl-4-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide (PubChem CID 97478904) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3S,4R)-N-cyclopropyl-4-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-N-cyclopropyl-4-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide
PubChem CID97478904
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(3S,4R)-N-cyclopropyl-4-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc([C@@H]2CN(C(=O)C(C)C)C[C@H]2C(=O)NC2CC2)cc1
InChIInChI=1S/C19H26N2O3/c1-12(2)19(23)21-10-16(13-4-8-15(24-3)9-5-13)17(11-21)18(22)20-14-6-7-14/h4-5,8-9,12,14,16-17H,6-7,10-11H2,1-3H3,(H,20,22)/t16-,17+/m0/s1
InChIKeyIFIJFLOEYBBZIQ-DLBZAZTESA-N
XLogP2.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-4-(4-methoxyphenyl)-1-(2-methylpropanoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 93148640
N-cyclopropyl-1-(ethylcarbamothioyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 90488180
N-cyclopropyl-4-(4-fluorophenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide
CID 42827099
N-cyclopropyl-1-(4-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42680870
1-(cyclopropanecarbonyl)-4-(4-methoxyphenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 42680202
1-acetyl-4-(4-methoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 42680263
N-cyclopropyl-1-(3-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42826733
1-[3-(4-methoxyphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 42862683
4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-propanoylpyrrolidine-3-carboxamide
CID 42825886
4-(4-methoxyphenyl)pyrrolidine-1,3-dicarboxylic acid
CID 135307106
N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 71689571
4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-(2-phenylacetyl)pyrrolidine-3-carboxamide
CID 42680269

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-cyclopropyl-4-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4R)-N-cyclopropyl-4-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide (CID 97478904) is (3S,4R)-N-cyclopropyl-4-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4R)-N-cyclopropyl-4-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4R)-N-cyclopropyl-4-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide is COc1ccc([C@@H]2CN(C(=O)C(C)C)C[C@H]2C(=O)NC2CC2)cc1.
What is the InChIKey of (3S,4R)-N-cyclopropyl-4-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide?
The InChIKey is IFIJFLOEYBBZIQ-DLBZAZTESA-N. The full InChI is InChI=1S/C19H26N2O3/c1-12(2)19(23)21-10-16(13-4-8-15(24-3)9-5-13)17(11-21)18(22)20-14-6-7-14/h4-5,8-9,12,14,16-17H,6-7,10-11H2,1-3H3,(H,20,22)/t16-,17+/m0/s1.
What are the key properties of (3S,4R)-N-cyclopropyl-4-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide?
(3S,4R)-N-cyclopropyl-4-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-cyclopropyl-4-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 97478904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).