1-[(3-ethoxy-2-hydroxyphenyl)methyl]pyrrolidine-3-carboxamide

C14H20N2O3 — CID 103881491

IUPAC1-[(3-ethoxy-2-hydroxyphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCOc1cccc(CN2CCC(C(N)=O)C2)c1O
InChIInChI=1S/C14H20N2O3/c1-2-19-12-5-3-4-10(13(12)17)8-16-7-6-11(9-16)14(15)18/h3-5,11,17H,2,6-9H2,1H3,(H2,15,18)
InChIKeyKKXVKQZJSKDKCI-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.10
Rot. Bonds5

About 1-[(3-ethoxy-2-hydroxyphenyl)methyl]pyrrolidine-3-carboxamide

1-[(3-ethoxy-2-hydroxyphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 103881491) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[(3-ethoxy-2-hydroxyphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-ethoxy-2-hydroxyphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID103881491
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[(3-ethoxy-2-hydroxyphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCOc1cccc(CN2CCC(C(N)=O)C2)c1O
InChIInChI=1S/C14H20N2O3/c1-2-19-12-5-3-4-10(13(12)17)8-16-7-6-11(9-16)14(15)18/h3-5,11,17H,2,6-9H2,1H3,(H2,15,18)
InChIKeyKKXVKQZJSKDKCI-UHFFFAOYSA-N
XLogP1.10
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 1-[(3-ethoxy-2-hydroxyphenyl)methyl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3884860
2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol
CID 61296269
(4-chlorophenyl)-[(3S)-1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-3-yl]methanone
CID 25455195
2-[(3-aminoazetidin-1-yl)methyl]-6-ethoxyphenol
CID 65244962
1-[(2-ethoxyphenyl)methyl]-4-methyl-1,4-diazepane-6-carboxamide
CID 127245398
1-acetyl-4-[(2-ethoxyphenyl)methyl]-1,4-diazepane-6-carboxamide
CID 110098469
(3-chlorophenyl)-[(3S)-1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-3-yl]methanone
CID 25298707
2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol
CID 82977269
1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 30137372
2-ethoxy-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenol
CID 82966226
1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 114081799
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 23884997

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-2-hydroxyphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[(3-ethoxy-2-hydroxyphenyl)methyl]pyrrolidine-3-carboxamide (CID 103881491) is 1-[(3-ethoxy-2-hydroxyphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(3-ethoxy-2-hydroxyphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(3-ethoxy-2-hydroxyphenyl)methyl]pyrrolidine-3-carboxamide is CCOc1cccc(CN2CCC(C(N)=O)C2)c1O.
What is the InChIKey of 1-[(3-ethoxy-2-hydroxyphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is KKXVKQZJSKDKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-19-12-5-3-4-10(13(12)17)8-16-7-6-11(9-16)14(15)18/h3-5,11,17H,2,6-9H2,1H3,(H2,15,18).
What are the key properties of 1-[(3-ethoxy-2-hydroxyphenyl)methyl]pyrrolidine-3-carboxamide?
1-[(3-ethoxy-2-hydroxyphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxy-2-hydroxyphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 103881491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).