N-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride

C16H25ClN2O2 — CID 119148602

IUPACN-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCC(CNC(=O)C1CCCN1)Oc1cccc(C)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-3-13(20-14-7-4-6-12(2)10-14)11-18-16(19)15-8-5-9-17-15;/h4,6-7,10,13,15,17H,3,5,8-9,11H2,1-2H3,(H,18,19);1H
InChIKeyLHXLTAVTWMEDJW-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.44
Rot. Bonds6

About N-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride

N-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119148602) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119148602
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCC(CNC(=O)C1CCCN1)Oc1cccc(C)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-3-13(20-14-7-4-6-12(2)10-14)11-18-16(19)15-8-5-9-17-15;/h4,6-7,10,13,15,17H,3,5,8-9,11H2,1-2H3,(H,18,19);1H
InChIKeyLHXLTAVTWMEDJW-UHFFFAOYSA-N
XLogP2.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119335744
N-[2-(3-fluorophenoxy)butyl]piperidine-2-carboxamide
CID 119340615
N-[2-(3-methylphenoxy)butyl]piperidine-4-carboxamide
CID 119344253
N-[2-(3-methylphenoxy)butyl]-2-pyrrolidin-2-ylacetamide
CID 119819909
N-(2-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119295521
N-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119336985
N-[2-(3-methylphenoxy)butyl]morpholine-2-carboxamide
CID 119819907
N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119300007
N-[2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide
CID 119344757
N-[2-(3-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide
CID 119819887
N-(2-phenoxypropyl)pyrrolidine-2-carboxamide
CID 119295522
N-[2-(2-chlorophenoxy)butyl]piperidine-2-carboxamide
CID 119340528

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119148602) is N-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride is CCC(CNC(=O)C1CCCN1)Oc1cccc(C)c1.Cl.
What is the InChIKey of N-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is LHXLTAVTWMEDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-3-13(20-14-7-4-6-12(2)10-14)11-18-16(19)15-8-5-9-17-15;/h4,6-7,10,13,15,17H,3,5,8-9,11H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119148602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).