2-[4-[acetyl(methyl)amino]anilino]-N-tert-butylacetamide

C15H23N3O2 — CID 54811252

IUPAC2-[4-[acetyl(methyl)amino]anilino]-N-tert-butylacetamide
SMILESCC(=O)N(C)c1ccc(NCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-11(19)18(5)13-8-6-12(7-9-13)16-10-14(20)17-15(2,3)4/h6-9,16H,10H2,1-5H3,(H,17,20)
InChIKeyZVCTZMFZLOMLGE-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.00
Rot. Bonds4

About 2-[4-[acetyl(methyl)amino]anilino]-N-tert-butylacetamide

2-[4-[acetyl(methyl)amino]anilino]-N-tert-butylacetamide (PubChem CID 54811252) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[4-[acetyl(methyl)amino]anilino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[4-[acetyl(methyl)amino]anilino]-N-tert-butylacetamide
PubChem CID54811252
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[4-[acetyl(methyl)amino]anilino]-N-tert-butylacetamide
SMILESCC(=O)N(C)c1ccc(NCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-11(19)18(5)13-8-6-12(7-9-13)16-10-14(20)17-15(2,3)4/h6-9,16H,10H2,1-5H3,(H,17,20)
InChIKeyZVCTZMFZLOMLGE-UHFFFAOYSA-N
XLogP2.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidoanilino)-N-tert-butylacetamide
CID 28567256
2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide
CID 54811000
2-[4-[acetyl(methyl)amino]anilino]-N-butan-2-ylacetamide
CID 54811338
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide
CID 54812602
4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide
CID 54811210
2-[4-[acetyl(methyl)amino]anilino]-N-hexadecylacetamide
CID 54811304
2-[4-[acetyl(methyl)amino]anilino]-N-(4-ethoxyphenyl)acetamide
CID 54810999
4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834231
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]benzamide
CID 54811372
N-[4-[acetyl(methyl)amino]phenyl]-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822163
2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide
CID 54831552
N-tert-butyl-2-[3-(dimethylamino)anilino]acetamide
CID 78914160

Frequently Asked Questions

What is the IUPAC name of 2-[4-[acetyl(methyl)amino]anilino]-N-tert-butylacetamide?
The IUPAC name of 2-[4-[acetyl(methyl)amino]anilino]-N-tert-butylacetamide (CID 54811252) is 2-[4-[acetyl(methyl)amino]anilino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[4-[acetyl(methyl)amino]anilino]-N-tert-butylacetamide?
The canonical SMILES for 2-[4-[acetyl(methyl)amino]anilino]-N-tert-butylacetamide is CC(=O)N(C)c1ccc(NCC(=O)NC(C)(C)C)cc1.
What is the InChIKey of 2-[4-[acetyl(methyl)amino]anilino]-N-tert-butylacetamide?
The InChIKey is ZVCTZMFZLOMLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(19)18(5)13-8-6-12(7-9-13)16-10-14(20)17-15(2,3)4/h6-9,16H,10H2,1-5H3,(H,17,20).
What are the key properties of 2-[4-[acetyl(methyl)amino]anilino]-N-tert-butylacetamide?
2-[4-[acetyl(methyl)amino]anilino]-N-tert-butylacetamide has a molecular weight of 277.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[acetyl(methyl)amino]anilino]-N-tert-butylacetamide is sourced from PubChem (CID 54811252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).