1-[(3-amino-4-hydroxyphenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide

C14H21N3O2 — CID 43575433

IUPAC1-[(3-amino-4-hydroxyphenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1Cc1ccc(O)c(N)c1
InChIInChI=1S/C14H21N3O2/c1-16(2)14(19)12-4-3-7-17(12)9-10-5-6-13(18)11(15)8-10/h5-6,8,12,18H,3-4,7,9,15H2,1-2H3
InChIKeyQUCLBJIHADETHE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.03
Rot. Bonds3

About 1-[(3-amino-4-hydroxyphenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[(3-amino-4-hydroxyphenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 43575433) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[(3-amino-4-hydroxyphenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(3-amino-4-hydroxyphenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID43575433
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[(3-amino-4-hydroxyphenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1Cc1ccc(O)c(N)c1
InChIInChI=1S/C14H21N3O2/c1-16(2)14(19)12-4-3-7-17(12)9-10-5-6-13(18)11(15)8-10/h5-6,8,12,18H,3-4,7,9,15H2,1-2H3
InChIKeyQUCLBJIHADETHE-UHFFFAOYSA-N
XLogP1.03
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-aminophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575439
1-[(3-amino-5-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 103349926
1-[(2-amino-5-fluorophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575443
1-[[2-(aminomethyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 43576049
1-[(3-amino-4-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 43349867
2-amino-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenol
CID 61406900
(2R)-1-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 34930198
1-[(2-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 75833581
(2R)-1-[[4-(2-cyanophenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 25479714
(2S)-1-[(3-ethyl-4-hydroxyphenyl)methyl]piperidine-2-carboxylic acid
CID 134313054
(2S)-1-[[4-[[5-(4-hydroxyphenyl)-1,3-diazinan-2-yl]amino]phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 143432479
1-[(4-aminophenyl)methyl]pyrrolidine-2-carboxamide
CID 43212133

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-4-hydroxyphenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(3-amino-4-hydroxyphenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 43575433) is 1-[(3-amino-4-hydroxyphenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(3-amino-4-hydroxyphenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(3-amino-4-hydroxyphenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1Cc1ccc(O)c(N)c1.
What is the InChIKey of 1-[(3-amino-4-hydroxyphenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is QUCLBJIHADETHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16(2)14(19)12-4-3-7-17(12)9-10-5-6-13(18)11(15)8-10/h5-6,8,12,18H,3-4,7,9,15H2,1-2H3.
What are the key properties of 1-[(3-amino-4-hydroxyphenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[(3-amino-4-hydroxyphenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-4-hydroxyphenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 43575433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).