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

C16H24N2O2 — CID 63139773

IUPAC3-methyl-N-[3-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)COc1cccc(NC(=O)C2(C)CCNC2)c1
InChIInChI=1S/C16H24N2O2/c1-12(2)10-20-14-6-4-5-13(9-14)18-15(19)16(3)7-8-17-11-16/h4-6,9,12,17H,7-8,10-11H2,1-3H3,(H,18,19)
InChIKeyCBSPAKWHIBWCQT-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.66
Rot. Bonds5

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

3-methyl-N-[3-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide (PubChem CID 63139773) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-methyl-N-[3-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide
PubChem CID63139773
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-methyl-N-[3-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)COc1cccc(NC(=O)C2(C)CCNC2)c1
InChIInChI=1S/C16H24N2O2/c1-12(2)10-20-14-6-4-5-13(9-14)18-15(19)16(3)7-8-17-11-16/h4-6,9,12,17H,7-8,10-11H2,1-3H3,(H,18,19)
InChIKeyCBSPAKWHIBWCQT-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-[2-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide
CID 63140356
1-amino-N-[3-(2-methylpropoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119714874
1-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]cyclobutane-1-carboxamide
CID 115447865
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
N-[3-(4-fluorophenoxy)phenyl]-4-methylpiperidine-4-carboxamide
CID 67036908
1-methyl-N-[4-(2-methylpropoxy)phenyl]cyclopentane-1-carboxamide
CID 100691652
N-[3-(2-methylpropoxy)phenyl]-2-piperidin-4-ylacetamide
CID 61030317
N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670703
3-methyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119943872
3-[3-(2-methylpropoxy)anilino]-3-oxopropanoic acid
CID 62230040
3-methyl-N-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide
CID 79240444

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[3-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide (CID 63139773) is 3-methyl-N-[3-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide is CC(C)COc1cccc(NC(=O)C2(C)CCNC2)c1.
What is the InChIKey of 3-methyl-N-[3-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is CBSPAKWHIBWCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)10-20-14-6-4-5-13(9-14)18-15(19)16(3)7-8-17-11-16/h4-6,9,12,17H,7-8,10-11H2,1-3H3,(H,18,19).
What are the key properties of 3-methyl-N-[3-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide?
3-methyl-N-[3-(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-[3-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63139773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).