N-methyl-N-[1-(4-methylphenyl)butan-2-yl]pyrrolidine-3-carboxamide

C17H26N2O — CID 119806895

IUPACN-methyl-N-[1-(4-methylphenyl)butan-2-yl]pyrrolidine-3-carboxamide
SMILESCCC(Cc1ccc(C)cc1)N(C)C(=O)C1CCNC1
InChIInChI=1S/C17H26N2O/c1-4-16(11-14-7-5-13(2)6-8-14)19(3)17(20)15-9-10-18-12-15/h5-8,15-16,18H,4,9-12H2,1-3H3
InChIKeyQCXOTZIMAGSICM-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.38
Rot. Bonds5

About N-methyl-N-[1-(4-methylphenyl)butan-2-yl]pyrrolidine-3-carboxamide

N-methyl-N-[1-(4-methylphenyl)butan-2-yl]pyrrolidine-3-carboxamide (PubChem CID 119806895) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methylphenyl)butan-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methylphenyl)butan-2-yl]pyrrolidine-3-carboxamide
PubChem CID119806895
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-methyl-N-[1-(4-methylphenyl)butan-2-yl]pyrrolidine-3-carboxamide
SMILESCCC(Cc1ccc(C)cc1)N(C)C(=O)C1CCNC1
InChIInChI=1S/C17H26N2O/c1-4-16(11-14-7-5-13(2)6-8-14)19(3)17(20)15-9-10-18-12-15/h5-8,15-16,18H,4,9-12H2,1-3H3
InChIKeyQCXOTZIMAGSICM-UHFFFAOYSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methylphenyl)butan-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-[1-(4-methylphenyl)butan-2-yl]pyrrolidine-3-carboxamide (CID 119806895) is N-methyl-N-[1-(4-methylphenyl)butan-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[1-(4-methylphenyl)butan-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[1-(4-methylphenyl)butan-2-yl]pyrrolidine-3-carboxamide is CCC(Cc1ccc(C)cc1)N(C)C(=O)C1CCNC1.
What is the InChIKey of N-methyl-N-[1-(4-methylphenyl)butan-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is QCXOTZIMAGSICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-16(11-14-7-5-13(2)6-8-14)19(3)17(20)15-9-10-18-12-15/h5-8,15-16,18H,4,9-12H2,1-3H3.
What are the key properties of N-methyl-N-[1-(4-methylphenyl)butan-2-yl]pyrrolidine-3-carboxamide?
N-methyl-N-[1-(4-methylphenyl)butan-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methylphenyl)butan-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119806895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).