N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide

C16H24N2O3 — CID 63140447

IUPACN-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCOc1cccc(CN(C)C(=O)C2(C)CCNC2)c1OC
InChIInChI=1S/C16H24N2O3/c1-16(8-9-17-11-16)15(19)18(2)10-12-6-5-7-13(20-3)14(12)21-4/h5-7,17H,8-11H2,1-4H3
InChIKeyJYMXJPWNUVRZTO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.66
Rot. Bonds5

About N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide

N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 63140447) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID63140447
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCOc1cccc(CN(C)C(=O)C2(C)CCNC2)c1OC
InChIInChI=1S/C16H24N2O3/c1-16(8-9-17-11-16)15(19)18(2)10-12-6-5-7-13(20-3)14(12)21-4/h5-7,17H,8-11H2,1-4H3
InChIKeyJYMXJPWNUVRZTO-UHFFFAOYSA-N
XLogP1.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60937332
N-[(2-ethoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide
CID 63131473
N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63138507
3-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 64891744
4-ethyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 63128870
N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride
CID 119702993
N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63143386
(3R)-N,3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 124685882
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 62856311
N-[(3-bromophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63143655
3-ethyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 63131997
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
CID 119944199

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 63140447) is N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide is COc1cccc(CN(C)C(=O)C2(C)CCNC2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is JYMXJPWNUVRZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(8-9-17-11-16)15(19)18(2)10-12-6-5-7-13(20-3)14(12)21-4/h5-7,17H,8-11H2,1-4H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63140447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).