N-(2,5-dimethoxyphenyl)-3-methylpyrrolidine-2-carboxamide

C14H20N2O3 — CID 102776855

IUPACN-(2,5-dimethoxyphenyl)-3-methylpyrrolidine-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2NCCC2C)c1
InChIInChI=1S/C14H20N2O3/c1-9-6-7-15-13(9)14(17)16-11-8-10(18-2)4-5-12(11)19-3/h4-5,8-9,13,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyJICCBMPYYZEEFO-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.64
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-3-methylpyrrolidine-2-carboxamide

N-(2,5-dimethoxyphenyl)-3-methylpyrrolidine-2-carboxamide (PubChem CID 102776855) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-methylpyrrolidine-2-carboxamide
PubChem CID102776855
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(2,5-dimethoxyphenyl)-3-methylpyrrolidine-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2NCCC2C)c1
InChIInChI=1S/C14H20N2O3/c1-9-6-7-15-13(9)14(17)16-11-8-10(18-2)4-5-12(11)19-3/h4-5,8-9,13,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyJICCBMPYYZEEFO-UHFFFAOYSA-N
XLogP1.64
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102776806
N-(2,5-dimethoxyphenyl)-4-ethylpiperidine-2-carboxamide
CID 114427861
cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320591
(3R)-N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide
CID 807343
N-(2,5-dimethoxyphenyl)-5-oxomorpholine-3-carboxamide
CID 110696823
2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 114997065
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
methyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate
CID 102777692
(2S,4S)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621299
(2S,4S)-N-(2-butoxy-5-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 120621294
N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112520928
N-(2,5-dimethoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119674283

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-methylpyrrolidine-2-carboxamide (CID 102776855) is N-(2,5-dimethoxyphenyl)-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-methylpyrrolidine-2-carboxamide is COc1ccc(OC)c(NC(=O)C2NCCC2C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-methylpyrrolidine-2-carboxamide?
The InChIKey is JICCBMPYYZEEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-6-7-15-13(9)14(17)16-11-8-10(18-2)4-5-12(11)19-3/h4-5,8-9,13,15H,6-7H2,1-3H3,(H,16,17).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-methylpyrrolidine-2-carboxamide?
N-(2,5-dimethoxyphenyl)-3-methylpyrrolidine-2-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102776855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).