(3R)-N,3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide

C18H27N3O2 — CID 124685882

IUPAC(3R)-N,3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)[C@]1(C)CCNC1
InChIInChI=1S/C18H27N3O2/c1-18(7-8-19-14-18)17(22)20(2)13-15-5-3-4-6-16(15)21-9-11-23-12-10-21/h3-6,19H,7-14H2,1-2H3/t18-/m1/s1
InChIKeyFHJWCBYEPAEZNF-GOSISDBHSA-N
MW317.43 g/mol
LogP1.48
Rot. Bonds4

About (3R)-N,3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide

(3R)-N,3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 124685882) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (3R)-N,3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID124685882
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(3R)-N,3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)[C@]1(C)CCNC1
InChIInChI=1S/C18H27N3O2/c1-18(7-8-19-14-18)17(22)20(2)13-15-5-3-4-6-16(15)21-9-11-23-12-10-21/h3-6,19H,7-14H2,1-2H3/t18-/m1/s1
InChIKeyFHJWCBYEPAEZNF-GOSISDBHSA-N
XLogP1.48
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N,3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N,3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 124685882) is (3R)-N,3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N,3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N,3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide is CN(Cc1ccccc1N1CCOCC1)C(=O)[C@]1(C)CCNC1.
What is the InChIKey of (3R)-N,3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is FHJWCBYEPAEZNF-GOSISDBHSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-18(7-8-19-14-18)17(22)20(2)13-15-5-3-4-6-16(15)21-9-11-23-12-10-21/h3-6,19H,7-14H2,1-2H3/t18-/m1/s1.
What are the key properties of (3R)-N,3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?
(3R)-N,3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 124685882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).