2-(4-methylanilino)-N-(2-methylpropyl)acetamide

C13H20N2O — CID 28585751

IUPAC2-(4-methylanilino)-N-(2-methylpropyl)acetamide
SMILESCc1ccc(NCC(=O)NCC(C)C)cc1
InChIInChI=1S/C13H20N2O/c1-10(2)8-15-13(16)9-14-12-6-4-11(3)5-7-12/h4-7,10,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyZKAFUSILEGFVIB-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.18
Rot. Bonds5

About 2-(4-methylanilino)-N-(2-methylpropyl)acetamide

2-(4-methylanilino)-N-(2-methylpropyl)acetamide (PubChem CID 28585751) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(4-methylanilino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-methylanilino)-N-(2-methylpropyl)acetamide
PubChem CID28585751
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(4-methylanilino)-N-(2-methylpropyl)acetamide
SMILESCc1ccc(NCC(=O)NCC(C)C)cc1
InChIInChI=1S/C13H20N2O/c1-10(2)8-15-13(16)9-14-12-6-4-11(3)5-7-12/h4-7,10,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyZKAFUSILEGFVIB-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-2-(4-phenylanilino)acetamide
CID 60647076
2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide
CID 28571980
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide
CID 134003780
N-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide
CID 28579456
N-(2-methylpropyl)-2-(4-sulfamoylanilino)acetamide
CID 112688467
N-(4-methylphenyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
CID 115598404
N-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 60647120
2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylpropyl)acetamide
CID 115378145
2-(4-methylanilino)-N-(1-phenylethyl)acetamide
CID 54814142
2-(2-bromo-5-methylanilino)-N-(2-methylpropyl)acetamide
CID 82757462
2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60638136

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-methylanilino)-N-(2-methylpropyl)acetamide (CID 28585751) is 2-(4-methylanilino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-methylanilino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-methylanilino)-N-(2-methylpropyl)acetamide is Cc1ccc(NCC(=O)NCC(C)C)cc1.
What is the InChIKey of 2-(4-methylanilino)-N-(2-methylpropyl)acetamide?
The InChIKey is ZKAFUSILEGFVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)8-15-13(16)9-14-12-6-4-11(3)5-7-12/h4-7,10,14H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 2-(4-methylanilino)-N-(2-methylpropyl)acetamide?
2-(4-methylanilino)-N-(2-methylpropyl)acetamide has a molecular weight of 220.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 28585751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).