N-(3-acetamidophenyl)-2-(3,3-dimethylbutan-2-ylamino)acetamide

C16H25N3O2 — CID 71986887

IUPACN-(3-acetamidophenyl)-2-(3,3-dimethylbutan-2-ylamino)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CNC(C)C(C)(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-11(16(3,4)5)17-10-15(21)19-14-8-6-7-13(9-14)18-12(2)20/h6-9,11,17H,10H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyQMDOKPHRNDMSIK-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.61
Rot. Bonds5

About N-(3-acetamidophenyl)-2-(3,3-dimethylbutan-2-ylamino)acetamide

N-(3-acetamidophenyl)-2-(3,3-dimethylbutan-2-ylamino)acetamide (PubChem CID 71986887) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(3,3-dimethylbutan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(3,3-dimethylbutan-2-ylamino)acetamide
PubChem CID71986887
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-(3-acetamidophenyl)-2-(3,3-dimethylbutan-2-ylamino)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CNC(C)C(C)(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-11(16(3,4)5)17-10-15(21)19-14-8-6-7-13(9-14)18-12(2)20/h6-9,11,17H,10H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyQMDOKPHRNDMSIK-UHFFFAOYSA-N
XLogP2.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-dimethylbutan-2-ylamino)-N-(3-fluorophenyl)acetamide
CID 115626967
2-(3,3-dimethylbutan-2-ylamino)-N-phenylacetamide
CID 115626999
N-(3-acetamidophenyl)-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 86909136
N-(3-acetamidophenyl)-2-[2,6-di(propan-2-yl)anilino]acetamide
CID 109009962
N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 32705841
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809331
N-(3-acetamidophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 26006629
N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide
CID 39450231
N-[3-(methanesulfonamido)phenyl]-2-(propan-2-ylamino)acetamide
CID 61274883
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923
2-(3-acetamidoanilino)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 109009934
N-(3-acetamidophenyl)-2-sulfanylacetamide
CID 60650093

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(3,3-dimethylbutan-2-ylamino)acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(3,3-dimethylbutan-2-ylamino)acetamide (CID 71986887) is N-(3-acetamidophenyl)-2-(3,3-dimethylbutan-2-ylamino)acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(3,3-dimethylbutan-2-ylamino)acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(3,3-dimethylbutan-2-ylamino)acetamide is CC(=O)Nc1cccc(NC(=O)CNC(C)C(C)(C)C)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(3,3-dimethylbutan-2-ylamino)acetamide?
The InChIKey is QMDOKPHRNDMSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(16(3,4)5)17-10-15(21)19-14-8-6-7-13(9-14)18-12(2)20/h6-9,11,17H,10H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-acetamidophenyl)-2-(3,3-dimethylbutan-2-ylamino)acetamide?
N-(3-acetamidophenyl)-2-(3,3-dimethylbutan-2-ylamino)acetamide has a molecular weight of 291.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(3,3-dimethylbutan-2-ylamino)acetamide is sourced from PubChem (CID 71986887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).