2-[4-(2-methylpropyl)anilino]acetamide

C12H18N2O — CID 96671110

IUPAC2-[4-(2-methylpropyl)anilino]acetamide
SMILESCC(C)Cc1ccc(NCC(N)=O)cc1
InChIInChI=1S/C12H18N2O/c1-9(2)7-10-3-5-11(6-4-10)14-8-12(13)15/h3-6,9,14H,7-8H2,1-2H3,(H2,13,15)
InChIKeyDKHVJBSPBLJSDI-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.78
Rot. Bonds5

About 2-[4-(2-methylpropyl)anilino]acetamide

2-[4-(2-methylpropyl)anilino]acetamide (PubChem CID 96671110) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)anilino]acetamide.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)anilino]acetamide
PubChem CID96671110
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-[4-(2-methylpropyl)anilino]acetamide
SMILESCC(C)Cc1ccc(NCC(N)=O)cc1
InChIInChI=1S/C12H18N2O/c1-9(2)7-10-3-5-11(6-4-10)14-8-12(13)15/h3-6,9,14H,7-8H2,1-2H3,(H2,13,15)
InChIKeyDKHVJBSPBLJSDI-UHFFFAOYSA-N
XLogP1.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminoanilino)acetamide
CID 19048353
N'-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 59849275
[4-(2-methylpropyl)phenyl]carbamic acid
CID 115170610
2-(4-chloroanilino)acetamide
CID 22320740
N-[4-(2-methylpropyl)phenyl]carbamoyl chloride
CID 115194334
[4-(2-methylpropyl)phenyl]carbamothioic S-acid
CID 115169658
1-[[4-(2-methylpropyl)anilino]methyl]cyclopropane-1-carboxylic acid
CID 115242698
3-(methylamino)-3-[4-(2-methylpropyl)phenyl]butanamide
CID 65236691
3-[4-(2-methylpropyl)anilino]-3-oxopropanoic acid
CID 115163213
methyl 2-[4-(2-methylpropyl)anilino]-2-oxoacetate
CID 115142143
2-[4-(2,4-dimethylpentylamino)phenyl]acetamide
CID 114200586
3-amino-2-hydroxy-N-[4-(2-methylpropyl)phenyl]propanamide
CID 115180236

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)anilino]acetamide?
The IUPAC name of 2-[4-(2-methylpropyl)anilino]acetamide (CID 96671110) is 2-[4-(2-methylpropyl)anilino]acetamide.
What is the SMILES notation for 2-[4-(2-methylpropyl)anilino]acetamide?
The canonical SMILES for 2-[4-(2-methylpropyl)anilino]acetamide is CC(C)Cc1ccc(NCC(N)=O)cc1.
What is the InChIKey of 2-[4-(2-methylpropyl)anilino]acetamide?
The InChIKey is DKHVJBSPBLJSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)7-10-3-5-11(6-4-10)14-8-12(13)15/h3-6,9,14H,7-8H2,1-2H3,(H2,13,15).
What are the key properties of 2-[4-(2-methylpropyl)anilino]acetamide?
2-[4-(2-methylpropyl)anilino]acetamide has a molecular weight of 206.29 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)anilino]acetamide is sourced from PubChem (CID 96671110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).