N-[3-methyl-4-(oxan-4-yloxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride

C17H25ClN2O3 — CID 119328337

IUPACN-[3-methyl-4-(oxan-4-yloxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)C2CCCN2)ccc1OC1CCOCC1.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-12-11-13(19-17(20)15-3-2-8-18-15)4-5-16(12)22-14-6-9-21-10-7-14;/h4-5,11,14-15,18H,2-3,6-10H2,1H3,(H,19,20);1H
InChIKeyIQPCAXHSWYZFQK-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.67
Rot. Bonds4

About N-[3-methyl-4-(oxan-4-yloxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride

N-[3-methyl-4-(oxan-4-yloxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119328337) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is N-[3-methyl-4-(oxan-4-yloxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-methyl-4-(oxan-4-yloxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119328337
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC NameN-[3-methyl-4-(oxan-4-yloxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)C2CCCN2)ccc1OC1CCOCC1.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-12-11-13(19-17(20)15-3-2-8-18-15)4-5-16(12)22-14-6-9-21-10-7-14;/h4-5,11,14-15,18H,2-3,6-10H2,1H3,(H,19,20);1H
InChIKeyIQPCAXHSWYZFQK-UHFFFAOYSA-N
XLogP2.67
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119792152
N-[3-methyl-4-(oxan-4-yloxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119328324
(2R)-N-(4-methoxy-3-methylphenyl)piperidine-2-carboxamide
CID 94222952
N-(4-cyclopentyloxy-3-fluorophenyl)pyrrolidine-2-carboxamide
CID 119336640
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681
(2S)-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 100663215
(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119673647
2-amino-N-[3-methyl-4-(oxan-4-yloxy)phenyl]benzamide;hydrochloride
CID 119945575
N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119321690
N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 43233890
N-(3-carbamoyl-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119316570
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119264815

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(oxan-4-yloxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-methyl-4-(oxan-4-yloxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119328337) is N-[3-methyl-4-(oxan-4-yloxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-methyl-4-(oxan-4-yloxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-methyl-4-(oxan-4-yloxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride is Cc1cc(NC(=O)C2CCCN2)ccc1OC1CCOCC1.Cl.
What is the InChIKey of N-[3-methyl-4-(oxan-4-yloxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is IQPCAXHSWYZFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3.ClH/c1-12-11-13(19-17(20)15-3-2-8-18-15)4-5-16(12)22-14-6-9-21-10-7-14;/h4-5,11,14-15,18H,2-3,6-10H2,1H3,(H,19,20);1H.
What are the key properties of N-[3-methyl-4-(oxan-4-yloxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[3-methyl-4-(oxan-4-yloxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(oxan-4-yloxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119328337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).