2-methyl-N-[[4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)propanamide

C20H32N2O — CID 42869939

IUPAC2-methyl-N-[[4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)propanamide
SMILESCc1ccc(C2CNCC2CN(CC(C)C)C(=O)C(C)C)cc1
InChIInChI=1S/C20H32N2O/c1-14(2)12-22(20(23)15(3)4)13-18-10-21-11-19(18)17-8-6-16(5)7-9-17/h6-9,14-15,18-19,21H,10-13H2,1-5H3
InChIKeyNHTGKYPEWDPAKC-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.44
Rot. Bonds6

About 2-methyl-N-[[4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)propanamide

2-methyl-N-[[4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)propanamide (PubChem CID 42869939) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-methyl-N-[[4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)propanamide
PubChem CID42869939
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name2-methyl-N-[[4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)propanamide
SMILESCc1ccc(C2CNCC2CN(CC(C)C)C(=O)C(C)C)cc1
InChIInChI=1S/C20H32N2O/c1-14(2)12-22(20(23)15(3)4)13-18-10-21-11-19(18)17-8-6-16(5)7-9-17/h6-9,14-15,18-19,21H,10-13H2,1-5H3
InChIKeyNHTGKYPEWDPAKC-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-methyl-N-[[4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)propanamide (CID 42869939) is 2-methyl-N-[[4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-methyl-N-[[4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-methyl-N-[[4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)propanamide is Cc1ccc(C2CNCC2CN(CC(C)C)C(=O)C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[[4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)propanamide?
The InChIKey is NHTGKYPEWDPAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-14(2)12-22(20(23)15(3)4)13-18-10-21-11-19(18)17-8-6-16(5)7-9-17/h6-9,14-15,18-19,21H,10-13H2,1-5H3.
What are the key properties of 2-methyl-N-[[4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)propanamide?
2-methyl-N-[[4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)propanamide has a molecular weight of 316.49 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 42869939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).