(2R)-N-(4-methoxyphenyl)-1-[3-(2-methylpropoxy)propanoyl]pyrrolidine-2-carboxamide

C19H28N2O4 — CID 39475072

IUPAC(2R)-N-(4-methoxyphenyl)-1-[3-(2-methylpropoxy)propanoyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)CCOCC(C)C)cc1
InChIInChI=1S/C19H28N2O4/c1-14(2)13-25-12-10-18(22)21-11-4-5-17(21)19(23)20-15-6-8-16(24-3)9-7-15/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,20,23)/t17-/m1/s1
InChIKeyNOULQOMAZVLNSQ-QGZVFWFLSA-N
MW348.44 g/mol
LogP2.69
Rot. Bonds8

About (2R)-N-(4-methoxyphenyl)-1-[3-(2-methylpropoxy)propanoyl]pyrrolidine-2-carboxamide

(2R)-N-(4-methoxyphenyl)-1-[3-(2-methylpropoxy)propanoyl]pyrrolidine-2-carboxamide (PubChem CID 39475072) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is (2R)-N-(4-methoxyphenyl)-1-[3-(2-methylpropoxy)propanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-methoxyphenyl)-1-[3-(2-methylpropoxy)propanoyl]pyrrolidine-2-carboxamide
PubChem CID39475072
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name(2R)-N-(4-methoxyphenyl)-1-[3-(2-methylpropoxy)propanoyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)CCOCC(C)C)cc1
InChIInChI=1S/C19H28N2O4/c1-14(2)13-25-12-10-18(22)21-11-4-5-17(21)19(23)20-15-6-8-16(24-3)9-7-15/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,20,23)/t17-/m1/s1
InChIKeyNOULQOMAZVLNSQ-QGZVFWFLSA-N
XLogP2.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methoxyphenyl)-1-[3-(2-methylpropoxy)propanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(4-methoxyphenyl)-1-[3-(2-methylpropoxy)propanoyl]pyrrolidine-2-carboxamide (CID 39475072) is (2R)-N-(4-methoxyphenyl)-1-[3-(2-methylpropoxy)propanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-methoxyphenyl)-1-[3-(2-methylpropoxy)propanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-methoxyphenyl)-1-[3-(2-methylpropoxy)propanoyl]pyrrolidine-2-carboxamide is COc1ccc(NC(=O)[C@H]2CCCN2C(=O)CCOCC(C)C)cc1.
What is the InChIKey of (2R)-N-(4-methoxyphenyl)-1-[3-(2-methylpropoxy)propanoyl]pyrrolidine-2-carboxamide?
The InChIKey is NOULQOMAZVLNSQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-14(2)13-25-12-10-18(22)21-11-4-5-17(21)19(23)20-15-6-8-16(24-3)9-7-15/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,20,23)/t17-/m1/s1.
What are the key properties of (2R)-N-(4-methoxyphenyl)-1-[3-(2-methylpropoxy)propanoyl]pyrrolidine-2-carboxamide?
(2R)-N-(4-methoxyphenyl)-1-[3-(2-methylpropoxy)propanoyl]pyrrolidine-2-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methoxyphenyl)-1-[3-(2-methylpropoxy)propanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 39475072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).