N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-phenylacetamide

C18H28N2O — CID 15130807

IUPACN-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-phenylacetamide
SMILESCC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccccc1
InChIInChI=1S/C18H28N2O/c1-15(2)17(14-20-11-7-8-12-20)19(3)18(21)13-16-9-5-4-6-10-16/h4-6,9-10,15,17H,7-8,11-14H2,1-3H3/t17-/m1/s1
InChIKeyINNSVQUJUIUHFT-QGZVFWFLSA-N
MW288.44 g/mol
LogP2.81
Rot. Bonds6

About N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-phenylacetamide

N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-phenylacetamide (PubChem CID 15130807) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-phenylacetamide
PubChem CID15130807
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-phenylacetamide
SMILESCC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccccc1
InChIInChI=1S/C18H28N2O/c1-15(2)17(14-20-11-7-8-12-20)19(3)18(21)13-16-9-5-4-6-10-16/h4-6,9-10,15,17H,7-8,11-14H2,1-3H3/t17-/m1/s1
InChIKeyINNSVQUJUIUHFT-QGZVFWFLSA-N
XLogP2.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-phenylacetamide?
The IUPAC name of N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-phenylacetamide (CID 15130807) is N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-phenylacetamide?
The canonical SMILES for N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-phenylacetamide is CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccccc1.
What is the InChIKey of N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-phenylacetamide?
The InChIKey is INNSVQUJUIUHFT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15(2)17(14-20-11-7-8-12-20)19(3)18(21)13-16-9-5-4-6-10-16/h4-6,9-10,15,17H,7-8,11-14H2,1-3H3/t17-/m1/s1.
What are the key properties of N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-phenylacetamide?
N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-phenylacetamide has a molecular weight of 288.44 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-phenylacetamide is sourced from PubChem (CID 15130807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).