N-methyl-N-[2-(3-methylphenyl)ethyl]-2-oxoacetamide

C12H15NO2 — CID 115166756

IUPACN-methyl-N-[2-(3-methylphenyl)ethyl]-2-oxoacetamide
SMILESCc1cccc(CCN(C)C(=O)C=O)c1
InChIInChI=1S/C12H15NO2/c1-10-4-3-5-11(8-10)6-7-13(2)12(15)9-14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyFAUSCPUXBNUVDI-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.19
Rot. Bonds4

About N-methyl-N-[2-(3-methylphenyl)ethyl]-2-oxoacetamide

N-methyl-N-[2-(3-methylphenyl)ethyl]-2-oxoacetamide (PubChem CID 115166756) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methylphenyl)ethyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methylphenyl)ethyl]-2-oxoacetamide
PubChem CID115166756
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-methyl-N-[2-(3-methylphenyl)ethyl]-2-oxoacetamide
SMILESCc1cccc(CCN(C)C(=O)C=O)c1
InChIInChI=1S/C12H15NO2/c1-10-4-3-5-11(8-10)6-7-13(2)12(15)9-14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyFAUSCPUXBNUVDI-UHFFFAOYSA-N
XLogP1.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[2-(3-methylphenyl)ethyl]amino]-2-oxoacetic acid
CID 82127746
2-(ethylamino)-N-methyl-N-[2-(3-methylphenyl)ethyl]acetamide
CID 115158122
N,2-dimethyl-2-(methylamino)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 115165838
2-methyl-3-[methyl-[2-(3-methylphenyl)ethyl]amino]-3-oxopropanoic acid
CID 115164386
N-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide
CID 23577992
2-amino-3-[methyl-[2-(3-methylphenyl)ethyl]amino]-3-oxopropanoic acid
CID 115179509
N-methyl-N-[2-(2-methylphenyl)ethyl]-2-oxoacetamide
CID 115166755
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(3-methylphenyl)prop-2-enamide
CID 9468468
[methyl-[2-(3-methylphenyl)ethyl]amino]methanol
CID 115229547
N-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine
CID 129060272
(E)-4-[methyl-[2-(4-methylphenyl)ethyl]amino]-4-oxobut-2-enoic acid
CID 115177304
(E)-4-[methyl-[(3-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54875189

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methylphenyl)ethyl]-2-oxoacetamide?
The IUPAC name of N-methyl-N-[2-(3-methylphenyl)ethyl]-2-oxoacetamide (CID 115166756) is N-methyl-N-[2-(3-methylphenyl)ethyl]-2-oxoacetamide.
What is the SMILES notation for N-methyl-N-[2-(3-methylphenyl)ethyl]-2-oxoacetamide?
The canonical SMILES for N-methyl-N-[2-(3-methylphenyl)ethyl]-2-oxoacetamide is Cc1cccc(CCN(C)C(=O)C=O)c1.
What is the InChIKey of N-methyl-N-[2-(3-methylphenyl)ethyl]-2-oxoacetamide?
The InChIKey is FAUSCPUXBNUVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-10-4-3-5-11(8-10)6-7-13(2)12(15)9-14/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of N-methyl-N-[2-(3-methylphenyl)ethyl]-2-oxoacetamide?
N-methyl-N-[2-(3-methylphenyl)ethyl]-2-oxoacetamide has a molecular weight of 205.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-methylphenyl)ethyl]-2-oxoacetamide is sourced from PubChem (CID 115166756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).