2-(2-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide

C16H24N2O — CID 47330064

IUPAC2-(2-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCc1ccccc1C1CCCN1C(=O)NCC(C)C
InChIInChI=1S/C16H24N2O/c1-12(2)11-17-16(19)18-10-6-9-15(18)14-8-5-4-7-13(14)3/h4-5,7-8,12,15H,6,9-11H2,1-3H3,(H,17,19)
InChIKeySKFQMXNFCDJFQQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.50
Rot. Bonds3

About 2-(2-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide

2-(2-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide (PubChem CID 47330064) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
PubChem CID47330064
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(2-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCc1ccccc1C1CCCN1C(=O)NCC(C)C
InChIInChI=1S/C16H24N2O/c1-12(2)11-17-16(19)18-10-6-9-15(18)14-8-5-4-7-13(14)3/h4-5,7-8,12,15H,6,9-11H2,1-3H3,(H,17,19)
InChIKeySKFQMXNFCDJFQQ-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinone
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N-benzylpyrrolidine-1-carboxamide
CID 6459037
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CID 31899116
CID 31899116

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide (CID 47330064) is 2-(2-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide is Cc1ccccc1C1CCCN1C(=O)NCC(C)C.
What is the InChIKey of 2-(2-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is SKFQMXNFCDJFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)11-17-16(19)18-10-6-9-15(18)14-8-5-4-7-13(14)3/h4-5,7-8,12,15H,6,9-11H2,1-3H3,(H,17,19).
What are the key properties of 2-(2-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
2-(2-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47330064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).