(3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide

C17H24N2O3 — CID 110203489

IUPAC(3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)CCc2ccccc2)C[C@H]1COC
InChIInChI=1S/C17H24N2O3/c1-18-17(21)15-11-19(10-14(15)12-22-2)16(20)9-8-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3,(H,18,21)/t14-,15+/m0/s1
InChIKeyHZKLBJJSFCFUDK-LSDHHAIUSA-N
MW304.39 g/mol
LogP1.09
Rot. Bonds6

About (3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide

(3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide (PubChem CID 110203489) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide
PubChem CID110203489
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)CCc2ccccc2)C[C@H]1COC
InChIInChI=1S/C17H24N2O3/c1-18-17(21)15-11-19(10-14(15)12-22-2)16(20)9-8-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3,(H,18,21)/t14-,15+/m0/s1
InChIKeyHZKLBJJSFCFUDK-LSDHHAIUSA-N
XLogP1.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide (CID 110203489) is (3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CN(C(=O)CCc2ccccc2)C[C@H]1COC.
What is the InChIKey of (3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide?
The InChIKey is HZKLBJJSFCFUDK-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-18-17(21)15-11-19(10-14(15)12-22-2)16(20)9-8-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3,(H,18,21)/t14-,15+/m0/s1.
What are the key properties of (3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide?
(3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110203489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).