N-cyclopropyl-N-methyl-2-[2-(3-methylphenyl)ethylamino]acetamide

C15H22N2O — CID 62313193

IUPACN-cyclopropyl-N-methyl-2-[2-(3-methylphenyl)ethylamino]acetamide
SMILESCc1cccc(CCNCC(=O)N(C)C2CC2)c1
InChIInChI=1S/C15H22N2O/c1-12-4-3-5-13(10-12)8-9-16-11-15(18)17(2)14-6-7-14/h3-5,10,14,16H,6-9,11H2,1-2H3
InChIKeyGKIRUBUIFGFLGQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.75
Rot. Bonds6

About N-cyclopropyl-N-methyl-2-[2-(3-methylphenyl)ethylamino]acetamide

N-cyclopropyl-N-methyl-2-[2-(3-methylphenyl)ethylamino]acetamide (PubChem CID 62313193) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-2-[2-(3-methylphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-2-[2-(3-methylphenyl)ethylamino]acetamide
PubChem CID62313193
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-cyclopropyl-N-methyl-2-[2-(3-methylphenyl)ethylamino]acetamide
SMILESCc1cccc(CCNCC(=O)N(C)C2CC2)c1
InChIInChI=1S/C15H22N2O/c1-12-4-3-5-13(10-12)8-9-16-11-15(18)17(2)14-6-7-14/h3-5,10,14,16H,6-9,11H2,1-2H3
InChIKeyGKIRUBUIFGFLGQ-UHFFFAOYSA-N
XLogP1.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-methylphenyl)ethylamino]propan-2-one
CID 115235071
N,N-dimethyl-3-[2-(3-methylphenyl)ethylamino]propanamide
CID 55062373
tert-butyl 2-[2-(3-methylphenyl)ethylamino]acetate
CID 62313916
2-[2-(3-methylphenyl)ethylamino]-N-propan-2-ylacetamide
CID 62314829
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-(3-methylphenyl)propanamide
CID 62366416
2-(ethylamino)-N-methyl-N-[2-(3-methylphenyl)ethyl]acetamide
CID 115158122
4-[2-(3-methylphenyl)ethylamino]butan-2-one
CID 115235975
N-cyclopropyl-2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-methylacetamide
CID 62976669
1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea
CID 108898085
4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 55062327
N-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 78851901
N-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]acetamide
CID 78852248

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-2-[2-(3-methylphenyl)ethylamino]acetamide?
The IUPAC name of N-cyclopropyl-N-methyl-2-[2-(3-methylphenyl)ethylamino]acetamide (CID 62313193) is N-cyclopropyl-N-methyl-2-[2-(3-methylphenyl)ethylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-2-[2-(3-methylphenyl)ethylamino]acetamide?
The canonical SMILES for N-cyclopropyl-N-methyl-2-[2-(3-methylphenyl)ethylamino]acetamide is Cc1cccc(CCNCC(=O)N(C)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-methyl-2-[2-(3-methylphenyl)ethylamino]acetamide?
The InChIKey is GKIRUBUIFGFLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-4-3-5-13(10-12)8-9-16-11-15(18)17(2)14-6-7-14/h3-5,10,14,16H,6-9,11H2,1-2H3.
What are the key properties of N-cyclopropyl-N-methyl-2-[2-(3-methylphenyl)ethylamino]acetamide?
N-cyclopropyl-N-methyl-2-[2-(3-methylphenyl)ethylamino]acetamide has a molecular weight of 246.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-2-[2-(3-methylphenyl)ethylamino]acetamide is sourced from PubChem (CID 62313193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).