N-methyl-N-(4-methylpentan-2-yl)-2-(3-methylpyrrolidin-1-yl)acetamide

C14H28N2O — CID 86879276

IUPACN-methyl-N-(4-methylpentan-2-yl)-2-(3-methylpyrrolidin-1-yl)acetamide
SMILESCC(C)CC(C)N(C)C(=O)CN1CCC(C)C1
InChIInChI=1S/C14H28N2O/c1-11(2)8-13(4)15(5)14(17)10-16-7-6-12(3)9-16/h11-13H,6-10H2,1-5H3
InChIKeyCOORACOXXIZCGM-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.22
Rot. Bonds5

About N-methyl-N-(4-methylpentan-2-yl)-2-(3-methylpyrrolidin-1-yl)acetamide

N-methyl-N-(4-methylpentan-2-yl)-2-(3-methylpyrrolidin-1-yl)acetamide (PubChem CID 86879276) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-methyl-N-(4-methylpentan-2-yl)-2-(3-methylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylpentan-2-yl)-2-(3-methylpyrrolidin-1-yl)acetamide
PubChem CID86879276
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-methyl-N-(4-methylpentan-2-yl)-2-(3-methylpyrrolidin-1-yl)acetamide
SMILESCC(C)CC(C)N(C)C(=O)CN1CCC(C)C1
InChIInChI=1S/C14H28N2O/c1-11(2)8-13(4)15(5)14(17)10-16-7-6-12(3)9-16/h11-13H,6-10H2,1-5H3
InChIKeyCOORACOXXIZCGM-UHFFFAOYSA-N
XLogP2.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide
CID 115740438
2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-(4-methylpentan-2-yl)acetamide
CID 110898913
ethane;2-(3-methylpyrrolidin-1-yl)acetic acid
CID 143851762
N,N-dimethyl-2-(4-methylpiperidin-1-yl)acetamide;ethane
CID 145317125
1-(3-methylpyrrolidin-1-yl)but-3-en-2-one
CID 167082770
2-[(3R)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 97028839
2-(4-aminopiperidin-1-yl)-N-(1-methoxypropan-2-yl)-N-methylacetamide
CID 79327713
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 115966781
2-methyl-3-(3-methylpyrrolidin-1-yl)propanoic acid
CID 61225596
4-methyl-1-(3-methylpyrrolidin-1-yl)pentan-2-amine
CID 61225825
2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63852740
2-chloro-N-methyl-N-[(2R)-4-methylpentan-2-yl]acetamide
CID 93344235

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylpentan-2-yl)-2-(3-methylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-methyl-N-(4-methylpentan-2-yl)-2-(3-methylpyrrolidin-1-yl)acetamide (CID 86879276) is N-methyl-N-(4-methylpentan-2-yl)-2-(3-methylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-(4-methylpentan-2-yl)-2-(3-methylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-methyl-N-(4-methylpentan-2-yl)-2-(3-methylpyrrolidin-1-yl)acetamide is CC(C)CC(C)N(C)C(=O)CN1CCC(C)C1.
What is the InChIKey of N-methyl-N-(4-methylpentan-2-yl)-2-(3-methylpyrrolidin-1-yl)acetamide?
The InChIKey is COORACOXXIZCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)8-13(4)15(5)14(17)10-16-7-6-12(3)9-16/h11-13H,6-10H2,1-5H3.
What are the key properties of N-methyl-N-(4-methylpentan-2-yl)-2-(3-methylpyrrolidin-1-yl)acetamide?
N-methyl-N-(4-methylpentan-2-yl)-2-(3-methylpyrrolidin-1-yl)acetamide has a molecular weight of 240.39 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylpentan-2-yl)-2-(3-methylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 86879276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).