N-[2-(3-methylphenoxy)butyl]-2-pyrrolidin-2-ylacetamide

C17H26N2O2 — CID 119819909

IUPACN-[2-(3-methylphenoxy)butyl]-2-pyrrolidin-2-ylacetamide
SMILESCCC(CNC(=O)CC1CCCN1)Oc1cccc(C)c1
InChIInChI=1S/C17H26N2O2/c1-3-15(21-16-8-4-6-13(2)10-16)12-19-17(20)11-14-7-5-9-18-14/h4,6,8,10,14-15,18H,3,5,7,9,11-12H2,1-2H3,(H,19,20)
InChIKeyLZRVJDFOUMFADM-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.41
Rot. Bonds7

About N-[2-(3-methylphenoxy)butyl]-2-pyrrolidin-2-ylacetamide

N-[2-(3-methylphenoxy)butyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119819909) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)butyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)butyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119819909
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[2-(3-methylphenoxy)butyl]-2-pyrrolidin-2-ylacetamide
SMILESCCC(CNC(=O)CC1CCCN1)Oc1cccc(C)c1
InChIInChI=1S/C17H26N2O2/c1-3-15(21-16-8-4-6-13(2)10-16)12-19-17(20)11-14-7-5-9-18-14/h4,6,8,10,14-15,18H,3,5,7,9,11-12H2,1-2H3,(H,19,20)
InChIKeyLZRVJDFOUMFADM-UHFFFAOYSA-N
XLogP2.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119148602
N-[2-(2-fluorophenoxy)butyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119813356
N-[2-(3-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide
CID 119819887
N-[2-(3-methylphenoxy)butyl]piperidine-4-carboxamide
CID 119344253
N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 119804610
N-(2-phenoxypropyl)-2-pyrrolidin-2-ylacetamide
CID 119734660
N-[2-(3-chlorophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119807141
N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119804609
N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119709536
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119831071
N-[2-methyl-2-(3-methylphenyl)propyl]-2-pyrrolidin-2-ylacetamide
CID 119757018
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)butyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[2-(3-methylphenoxy)butyl]-2-pyrrolidin-2-ylacetamide (CID 119819909) is N-[2-(3-methylphenoxy)butyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[2-(3-methylphenoxy)butyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[2-(3-methylphenoxy)butyl]-2-pyrrolidin-2-ylacetamide is CCC(CNC(=O)CC1CCCN1)Oc1cccc(C)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)butyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is LZRVJDFOUMFADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-15(21-16-8-4-6-13(2)10-16)12-19-17(20)11-14-7-5-9-18-14/h4,6,8,10,14-15,18H,3,5,7,9,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(3-methylphenoxy)butyl]-2-pyrrolidin-2-ylacetamide?
N-[2-(3-methylphenoxy)butyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 290.41 g/mol, XLogP of 2.41, 7 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]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119819909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).