2-[2-(3-methylphenyl)ethylamino]-N-propan-2-ylacetamide

C14H22N2O — CID 62314829

IUPAC2-[2-(3-methylphenyl)ethylamino]-N-propan-2-ylacetamide
SMILESCc1cccc(CCNCC(=O)NC(C)C)c1
InChIInChI=1S/C14H22N2O/c1-11(2)16-14(17)10-15-8-7-13-6-4-5-12(3)9-13/h4-6,9,11,15H,7-8,10H2,1-3H3,(H,16,17)
InChIKeyJLMMKFGPHZIGRX-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.65
Rot. Bonds6

About 2-[2-(3-methylphenyl)ethylamino]-N-propan-2-ylacetamide

2-[2-(3-methylphenyl)ethylamino]-N-propan-2-ylacetamide (PubChem CID 62314829) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)ethylamino]-N-propan-2-ylacetamide
PubChem CID62314829
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[2-(3-methylphenyl)ethylamino]-N-propan-2-ylacetamide
SMILESCc1cccc(CCNCC(=O)NC(C)C)c1
InChIInChI=1S/C14H22N2O/c1-11(2)16-14(17)10-15-8-7-13-6-4-5-12(3)9-13/h4-6,9,11,15H,7-8,10H2,1-3H3,(H,16,17)
InChIKeyJLMMKFGPHZIGRX-UHFFFAOYSA-N
XLogP1.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
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
tert-butyl 2-[2-(3-methylphenyl)ethylamino]acetate
CID 62313916
2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 108996919
(2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol
CID 106932064
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
4-[2-(3-methylphenyl)ethylamino]butan-2-one
CID 115235975
2-chloro-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314292
N-ethyl-3-[2-(3-methylphenyl)ethylamino]propanamide
CID 62325702
2-amino-3-[2-(3-methylphenyl)ethylamino]propanamide
CID 103248005
N-cyclopropyl-N-methyl-2-[2-(3-methylphenyl)ethylamino]acetamide
CID 62313193
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
(Z)-3-chloro-2-methyl-N-[2-(3-methylphenyl)ethyl]prop-2-en-1-amine
CID 106437692

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(3-methylphenyl)ethylamino]-N-propan-2-ylacetamide (CID 62314829) is 2-[2-(3-methylphenyl)ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(3-methylphenyl)ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(3-methylphenyl)ethylamino]-N-propan-2-ylacetamide is Cc1cccc(CCNCC(=O)NC(C)C)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)ethylamino]-N-propan-2-ylacetamide?
The InChIKey is JLMMKFGPHZIGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)16-14(17)10-15-8-7-13-6-4-5-12(3)9-13/h4-6,9,11,15H,7-8,10H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-(3-methylphenyl)ethylamino]-N-propan-2-ylacetamide?
2-[2-(3-methylphenyl)ethylamino]-N-propan-2-ylacetamide has a molecular weight of 234.34 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 62314829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).