3-methyl-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide

C16H24N2O2 — CID 63140356

IUPAC3-methyl-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)COc1ccccc1NC(=O)C1(C)CCNC1
InChIInChI=1S/C16H24N2O2/c1-12(2)10-20-14-7-5-4-6-13(14)18-15(19)16(3)8-9-17-11-16/h4-7,12,17H,8-11H2,1-3H3,(H,18,19)
InChIKeyCLVIUVUNPSKAFR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.66
Rot. Bonds5

About 3-methyl-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide

3-methyl-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide (PubChem CID 63140356) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide
PubChem CID63140356
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-methyl-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)COc1ccccc1NC(=O)C1(C)CCNC1
InChIInChI=1S/C16H24N2O2/c1-12(2)10-20-14-7-5-4-6-13(14)18-15(19)16(3)8-9-17-11-16/h4-7,12,17H,8-11H2,1-3H3,(H,18,19)
InChIKeyCLVIUVUNPSKAFR-UHFFFAOYSA-N
XLogP2.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[3-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide
CID 63139773
2-[2-[(3-methylpiperidine-3-carbonyl)amino]phenoxy]acetic acid
CID 63746531
3-methyl-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 63141010
N-[2-(difluoromethoxy)phenyl]-3-methylpiperidine-3-carboxamide
CID 63130045
3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670460
N-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141111
2-(3-methylazetidin-3-yl)oxy-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 102611192
2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide
CID 55125784
3-methyl-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 63141494
N,N'-bis[2-(2-methylpropoxy)phenyl]hexanediamide
CID 17074524
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
2-(1-aminocyclobutyl)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 79854866

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide (CID 63140356) is 3-methyl-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide is CC(C)COc1ccccc1NC(=O)C1(C)CCNC1.
What is the InChIKey of 3-methyl-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is CLVIUVUNPSKAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)10-20-14-7-5-4-6-13(14)18-15(19)16(3)8-9-17-11-16/h4-7,12,17H,8-11H2,1-3H3,(H,18,19).
What are the key properties of 3-methyl-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide?
3-methyl-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63140356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).