N-methyl-N-[1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-2-phenylacetamide

C18H26N2O2 — CID 54257234

IUPACN-methyl-N-[1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-2-phenylacetamide
SMILESCCC(C(=O)N1CCCC1C)N(C)C(=O)Cc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-4-16(18(22)20-12-8-9-14(20)2)19(3)17(21)13-15-10-6-5-7-11-15/h5-7,10-11,14,16H,4,8-9,12-13H2,1-3H3
InChIKeyRAYAJGKXNXPDAW-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.48
Rot. Bonds5

About N-methyl-N-[1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-2-phenylacetamide

N-methyl-N-[1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-2-phenylacetamide (PubChem CID 54257234) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-methyl-N-[1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-methyl-N-[1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-2-phenylacetamide
PubChem CID54257234
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-methyl-N-[1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-2-phenylacetamide
SMILESCCC(C(=O)N1CCCC1C)N(C)C(=O)Cc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-4-16(18(22)20-12-8-9-14(20)2)19(3)17(21)13-15-10-6-5-7-11-15/h5-7,10-11,14,16H,4,8-9,12-13H2,1-3H3
InChIKeyRAYAJGKXNXPDAW-UHFFFAOYSA-N
XLogP2.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 110728155
2-[benzyl(methyl)amino]-1-(4-methylazepan-1-yl)butan-1-one
CID 119040518
N-[(1R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]propanamide
CID 134270184
2-(dimethylamino)-N-[(1R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]acetamide
CID 134270265
N-methyl-2-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 3298213
(2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one
CID 58185317
(3aS,7aS)-2-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 6582908
2-[1-(2-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2912759
ethane;N-methyl-2-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 91275660
N-methyl-2-phenyl-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]acetamide
CID 86268866
benzyl N-[(2R)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate
CID 173249573
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone
CID 24694891

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-2-phenylacetamide?
The IUPAC name of N-methyl-N-[1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-2-phenylacetamide (CID 54257234) is N-methyl-N-[1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-methyl-N-[1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-2-phenylacetamide?
The canonical SMILES for N-methyl-N-[1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-2-phenylacetamide is CCC(C(=O)N1CCCC1C)N(C)C(=O)Cc1ccccc1.
What is the InChIKey of N-methyl-N-[1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-2-phenylacetamide?
The InChIKey is RAYAJGKXNXPDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-16(18(22)20-12-8-9-14(20)2)19(3)17(21)13-15-10-6-5-7-11-15/h5-7,10-11,14,16H,4,8-9,12-13H2,1-3H3.
What are the key properties of N-methyl-N-[1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-2-phenylacetamide?
N-methyl-N-[1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-2-phenylacetamide has a molecular weight of 302.42 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-2-phenylacetamide is sourced from PubChem (CID 54257234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).