N-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide

C15H22N2O2 — CID 112973603

IUPACN-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide
SMILESCc1ccc(OCCNC(=O)N2CCCC2)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-12-5-6-14(13(2)11-12)19-10-7-16-15(18)17-8-3-4-9-17/h5-6,11H,3-4,7-10H2,1-2H3,(H,16,18)
InChIKeyUVOHMYYEJJHJOS-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.49
Rot. Bonds4

About N-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide

N-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide (PubChem CID 112973603) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide
PubChem CID112973603
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide
SMILESCc1ccc(OCCNC(=O)N2CCCC2)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-12-5-6-14(13(2)11-12)19-10-7-16-15(18)17-8-3-4-9-17/h5-6,11H,3-4,7-10H2,1-2H3,(H,16,18)
InChIKeyUVOHMYYEJJHJOS-UHFFFAOYSA-N
XLogP2.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112973614
N-[2-(2,4-dimethylphenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112973642
4-benzyl-N-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxamide
CID 112973670
4-(3-chlorophenyl)-N-[2-(2,4-dimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112973655
N-[2-(4-methylphenoxy)ethyl]azepane-1-carboxamide
CID 112970074
1-(azocan-1-yl)-3-(2,4-dimethylphenoxy)propan-1-one
CID 55575535
N-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide
CID 112975321
N-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide
CID 108881332
N-[2-(2,6-dimethylphenoxy)ethyl]azepane-1-carboxamide
CID 112973327
N-[(2,4-dimethylphenoxy)methyl]-4-ethylpiperazine-1-carboxamide
CID 108870773
1-cycloheptyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973665
3-amino-N-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 131911189

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide (CID 112973603) is N-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide is Cc1ccc(OCCNC(=O)N2CCCC2)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is UVOHMYYEJJHJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-5-6-14(13(2)11-12)19-10-7-16-15(18)17-8-3-4-9-17/h5-6,11H,3-4,7-10H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide?
N-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 112973603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).