N-methyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-propan-2-ylacetamide

C15H24N2O — CID 81360695

IUPACN-methyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-propan-2-ylacetamide
SMILESCc1cccc([C@@H](C)NCC(=O)N(C)C(C)C)c1
InChIInChI=1S/C15H24N2O/c1-11(2)17(5)15(18)10-16-13(4)14-8-6-7-12(3)9-14/h6-9,11,13,16H,10H2,1-5H3/t13-/m1/s1
InChIKeyXXXMDZSFJPAFLA-CYBMUJFWSA-N
MW248.37 g/mol
LogP2.51
Rot. Bonds5

About N-methyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-propan-2-ylacetamide

N-methyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-propan-2-ylacetamide (PubChem CID 81360695) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-propan-2-ylacetamide
PubChem CID81360695
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-methyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-propan-2-ylacetamide
SMILESCc1cccc([C@@H](C)NCC(=O)N(C)C(C)C)c1
InChIInChI=1S/C15H24N2O/c1-11(2)17(5)15(18)10-16-13(4)14-8-6-7-12(3)9-14/h6-9,11,13,16H,10H2,1-5H3/t13-/m1/s1
InChIKeyXXXMDZSFJPAFLA-CYBMUJFWSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81361311
2-[1-(3-fluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide
CID 60696807
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-methyl-N-propan-2-ylacetamide
CID 81372685
N-(4-methylphenyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367523
(E)-3-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]but-2-enoic acid
CID 103258616
tert-butyl 2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetate
CID 81361338
2-methylidene-N-[(1R)-1-(3-methylphenyl)ethyl]butan-1-amine
CID 81361301
N-(3-methylbutyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81360886
N,N-dimethyl-2-[1-(3-sulfamoylphenyl)ethylamino]acetamide
CID 43226387
N-benzyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367300
N',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine
CID 81361227
N-methyl-N-propan-2-yl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide
CID 81408875

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of N-methyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-propan-2-ylacetamide (CID 81360695) is N-methyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for N-methyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for N-methyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-propan-2-ylacetamide is Cc1cccc([C@@H](C)NCC(=O)N(C)C(C)C)c1.
What is the InChIKey of N-methyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-propan-2-ylacetamide?
The InChIKey is XXXMDZSFJPAFLA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)17(5)15(18)10-16-13(4)14-8-6-7-12(3)9-14/h6-9,11,13,16H,10H2,1-5H3/t13-/m1/s1.
What are the key properties of N-methyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-propan-2-ylacetamide?
N-methyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-propan-2-ylacetamide has a molecular weight of 248.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 81360695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).