N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide

C14H20N2O2 — CID 63143386

IUPACN-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)C1(C)CCNC1
InChIInChI=1S/C14H20N2O2/c1-14(6-7-15-10-14)13(18)16(2)9-11-4-3-5-12(17)8-11/h3-5,8,15,17H,6-7,9-10H2,1-2H3
InChIKeyYQODPSXMGRBHAX-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.35
Rot. Bonds3

About N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide

N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 63143386) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID63143386
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)C1(C)CCNC1
InChIInChI=1S/C14H20N2O2/c1-14(6-7-15-10-14)13(18)16(2)9-11-4-3-5-12(17)8-11/h3-5,8,15,17H,6-7,9-10H2,1-2H3
InChIKeyYQODPSXMGRBHAX-UHFFFAOYSA-N
XLogP1.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63143655
N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63138507
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
CID 119944199
N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63140447
N-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
CID 119943770
1-[2-[(3-hydroxyphenyl)methyl-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60951395
N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride
CID 119702993
3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 55164556
N-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63139872
N,4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 63121399
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
3-amino-N-[(3-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 64893376

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 63143386) is N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide is CN(Cc1cccc(O)c1)C(=O)C1(C)CCNC1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is YQODPSXMGRBHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(6-7-15-10-14)13(18)16(2)9-11-4-3-5-12(17)8-11/h3-5,8,15,17H,6-7,9-10H2,1-2H3.
What are the key properties of N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63143386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).