2-(3-methylanilino)-N-(3-propan-2-yloxypropyl)acetamide

C15H24N2O2 — CID 39364235

IUPAC2-(3-methylanilino)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1cccc(NCC(=O)NCCCOC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-12(2)19-9-5-8-16-15(18)11-17-14-7-4-6-13(3)10-14/h4,6-7,10,12,17H,5,8-9,11H2,1-3H3,(H,16,18)
InChIKeyLTXPTJSSEIGTCZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.34
Rot. Bonds8

About 2-(3-methylanilino)-N-(3-propan-2-yloxypropyl)acetamide

2-(3-methylanilino)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 39364235) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(3-methylanilino)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-methylanilino)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID39364235
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(3-methylanilino)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1cccc(NCC(=O)NCCCOC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-12(2)19-9-5-8-16-15(18)11-17-14-7-4-6-13(3)10-14/h4,6-7,10,12,17H,5,8-9,11H2,1-3H3,(H,16,18)
InChIKeyLTXPTJSSEIGTCZ-UHFFFAOYSA-N
XLogP2.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-anilino-N-(3-propan-2-yloxypropyl)acetamide
CID 39353530
2-(3,4-dimethylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 39378966
2-(4-chloroanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 39385075
N'-[(3-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 2174276
2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 39419759
3-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
CID 78785991
2-(3-methylanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 47107125
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
N-(3-methoxypropyl)-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81361482
N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 24552786
N-(2-methoxyethyl)-3-(3-methylanilino)propanamide
CID 109015044
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 39710283

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(3-methylanilino)-N-(3-propan-2-yloxypropyl)acetamide (CID 39364235) is 2-(3-methylanilino)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(3-methylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(3-methylanilino)-N-(3-propan-2-yloxypropyl)acetamide is Cc1cccc(NCC(=O)NCCCOC(C)C)c1.
What is the InChIKey of 2-(3-methylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is LTXPTJSSEIGTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(2)19-9-5-8-16-15(18)11-17-14-7-4-6-13(3)10-14/h4,6-7,10,12,17H,5,8-9,11H2,1-3H3,(H,16,18).
What are the key properties of 2-(3-methylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
2-(3-methylanilino)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 264.37 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 39364235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).