3-amino-N-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide

C15H23N3O2 — CID 131911189

IUPAC3-amino-N-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide
SMILESCc1ccc(C)c(OCCNC(=O)N2CCC(N)C2)c1
InChIInChI=1S/C15H23N3O2/c1-11-3-4-12(2)14(9-11)20-8-6-17-15(19)18-7-5-13(16)10-18/h3-4,9,13H,5-8,10,16H2,1-2H3,(H,17,19)
InChIKeyGYUSMKVLMAHXJB-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.42
Rot. Bonds4

About 3-amino-N-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide

3-amino-N-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide (PubChem CID 131911189) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-amino-N-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide
PubChem CID131911189
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-amino-N-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide
SMILESCc1ccc(C)c(OCCNC(=O)N2CCC(N)C2)c1
InChIInChI=1S/C15H23N3O2/c1-11-3-4-12(2)14(9-11)20-8-6-17-15(19)18-7-5-13(16)10-18/h3-4,9,13H,5-8,10,16H2,1-2H3,(H,17,19)
InChIKeyGYUSMKVLMAHXJB-UHFFFAOYSA-N
XLogP1.42
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S)-3-aminopiperidin-1-yl]-3-(2,5-dimethylphenoxy)propan-1-one
CID 124593638
N-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112973603
(3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine
CID 81491707
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide
CID 112976866
N-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide
CID 112975321
4-benzyl-N-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxamide
CID 112973670
N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112973614
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 124611762
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 124611763
N-[2-(2,5-dimethylphenoxy)ethyl]acetamide
CID 5298522
1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine
CID 61295726
1-(3-aminopyrrolidin-1-yl)-2-(2,4-dimethylphenoxy)ethanone;hydrochloride
CID 119482915

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide (CID 131911189) is 3-amino-N-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide is Cc1ccc(C)c(OCCNC(=O)N2CCC(N)C2)c1.
What is the InChIKey of 3-amino-N-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is GYUSMKVLMAHXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-3-4-12(2)14(9-11)20-8-6-17-15(19)18-7-5-13(16)10-18/h3-4,9,13H,5-8,10,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-N-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide?
3-amino-N-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 131911189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).