N-(3-acetamidophenyl)-2-[acetyl(tert-butyl)amino]acetamide

C16H23N3O3 — CID 113166199

IUPACN-(3-acetamidophenyl)-2-[acetyl(tert-butyl)amino]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN(C(C)=O)C(C)(C)C)c1
InChIInChI=1S/C16H23N3O3/c1-11(20)17-13-7-6-8-14(9-13)18-15(22)10-19(12(2)21)16(3,4)5/h6-9H,10H2,1-5H3,(H,17,20)(H,18,22)
InChIKeyWXVVLBSGRRSWAH-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.23
Rot. Bonds4

About N-(3-acetamidophenyl)-2-[acetyl(tert-butyl)amino]acetamide

N-(3-acetamidophenyl)-2-[acetyl(tert-butyl)amino]acetamide (PubChem CID 113166199) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[acetyl(tert-butyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[acetyl(tert-butyl)amino]acetamide
PubChem CID113166199
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-(3-acetamidophenyl)-2-[acetyl(tert-butyl)amino]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN(C(C)=O)C(C)(C)C)c1
InChIInChI=1S/C16H23N3O3/c1-11(20)17-13-7-6-8-14(9-13)18-15(22)10-19(12(2)21)16(3,4)5/h6-9H,10H2,1-5H3,(H,17,20)(H,18,22)
InChIKeyWXVVLBSGRRSWAH-UHFFFAOYSA-N
XLogP2.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(tert-butyl)amino]-N-(4-methylphenyl)acetamide
CID 113166147
2-[acetyl(tert-butyl)amino]-N-(3,5-dimethylphenyl)acetamide
CID 113166154
3-[acetyl(tert-butyl)amino]-N-(3-methylphenyl)propanamide
CID 113122510
2-[acetyl(tert-butyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113166222
3-[acetyl(tert-butyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113122548
2-[acetyl(tert-butyl)amino]-N-(4-cyanophenyl)acetamide
CID 113166246
2-[tert-butyl(methyl)amino]-N-[3-(methylamino)phenyl]acetamide
CID 70918703
2-[(3-acetamidobenzoyl)-tert-butylamino]acetic acid
CID 79264867
N-(3-acetamidophenyl)-2-hydroxy-2-methylpropanamide
CID 103429382
N-(3-acetamidophenyl)-2-sulfanylacetamide
CID 60650093
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 17431317
2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
CID 113175847

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[acetyl(tert-butyl)amino]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[acetyl(tert-butyl)amino]acetamide (CID 113166199) is N-(3-acetamidophenyl)-2-[acetyl(tert-butyl)amino]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[acetyl(tert-butyl)amino]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[acetyl(tert-butyl)amino]acetamide is CC(=O)Nc1cccc(NC(=O)CN(C(C)=O)C(C)(C)C)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[acetyl(tert-butyl)amino]acetamide?
The InChIKey is WXVVLBSGRRSWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(20)17-13-7-6-8-14(9-13)18-15(22)10-19(12(2)21)16(3,4)5/h6-9H,10H2,1-5H3,(H,17,20)(H,18,22).
What are the key properties of N-(3-acetamidophenyl)-2-[acetyl(tert-butyl)amino]acetamide?
N-(3-acetamidophenyl)-2-[acetyl(tert-butyl)amino]acetamide has a molecular weight of 305.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[acetyl(tert-butyl)amino]acetamide is sourced from PubChem (CID 113166199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).