2-(butan-2-ylamino)-N-(4-butylphenyl)acetamide

C16H26N2O — CID 54917864

IUPAC2-(butan-2-ylamino)-N-(4-butylphenyl)acetamide
SMILESCCCCc1ccc(NC(=O)CNC(C)CC)cc1
InChIInChI=1S/C16H26N2O/c1-4-6-7-14-8-10-15(11-9-14)18-16(19)12-17-13(3)5-2/h8-11,13,17H,4-7,12H2,1-3H3,(H,18,19)
InChIKeyCNZNQHVVMGOLSX-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.36
Rot. Bonds8

About 2-(butan-2-ylamino)-N-(4-butylphenyl)acetamide

2-(butan-2-ylamino)-N-(4-butylphenyl)acetamide (PubChem CID 54917864) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(4-butylphenyl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(4-butylphenyl)acetamide
PubChem CID54917864
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(butan-2-ylamino)-N-(4-butylphenyl)acetamide
SMILESCCCCc1ccc(NC(=O)CNC(C)CC)cc1
InChIInChI=1S/C16H26N2O/c1-4-6-7-14-8-10-15(11-9-14)18-16(19)12-17-13(3)5-2/h8-11,13,17H,4-7,12H2,1-3H3,(H,18,19)
InChIKeyCNZNQHVVMGOLSX-UHFFFAOYSA-N
XLogP3.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide
CID 43179384
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide
CID 28565900
2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide
CID 60852680
3-methyl-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]butanoic acid
CID 43468513
2-(methylamino)-N-(4-pentylphenyl)acetamide
CID 61249144
4-[[2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]acetyl]amino]benzamide
CID 8998366
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 60661179
2-(butan-2-ylamino)-N-[4-(ethylsulfamoyl)phenyl]acetamide
CID 60852490
2-bromo-N-(4-butylphenyl)butanamide
CID 63463837
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(4-butylphenyl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(4-butylphenyl)acetamide (CID 54917864) is 2-(butan-2-ylamino)-N-(4-butylphenyl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(4-butylphenyl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(4-butylphenyl)acetamide is CCCCc1ccc(NC(=O)CNC(C)CC)cc1.
What is the InChIKey of 2-(butan-2-ylamino)-N-(4-butylphenyl)acetamide?
The InChIKey is CNZNQHVVMGOLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-6-7-14-8-10-15(11-9-14)18-16(19)12-17-13(3)5-2/h8-11,13,17H,4-7,12H2,1-3H3,(H,18,19).
What are the key properties of 2-(butan-2-ylamino)-N-(4-butylphenyl)acetamide?
2-(butan-2-ylamino)-N-(4-butylphenyl)acetamide has a molecular weight of 262.40 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(4-butylphenyl)acetamide is sourced from PubChem (CID 54917864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).