2-(4-acetamidoanilino)-N-tert-butylacetamide

C14H21N3O2 — CID 28567256

IUPAC2-(4-acetamidoanilino)-N-tert-butylacetamide
SMILESCC(=O)Nc1ccc(NCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H21N3O2/c1-10(18)16-12-7-5-11(6-8-12)15-9-13(19)17-14(2,3)4/h5-8,15H,9H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyAEUMKAFDWXRFAN-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.97
Rot. Bonds4

About 2-(4-acetamidoanilino)-N-tert-butylacetamide

2-(4-acetamidoanilino)-N-tert-butylacetamide (PubChem CID 28567256) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-tert-butylacetamide
PubChem CID28567256
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(4-acetamidoanilino)-N-tert-butylacetamide
SMILESCC(=O)Nc1ccc(NCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H21N3O2/c1-10(18)16-12-7-5-11(6-8-12)15-9-13(19)17-14(2,3)4/h5-8,15H,9H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyAEUMKAFDWXRFAN-UHFFFAOYSA-N
XLogP1.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835003
2-[4-[acetyl(methyl)amino]anilino]-N-tert-butylacetamide
CID 54811252
N-(4-acetamidophenyl)-2-(4-chloroanilino)acetamide
CID 2604426
N-tert-butyl-2-(4-propylsulfonylanilino)acetamide
CID 115356865
N-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide
CID 54809172
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834565
N-tert-butyl-2-[(4-methylphenyl)carbamoylamino]acetamide
CID 17432752
2-(4-acetamidoanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809144
2-(4-acetamidoanilino)-N-(4-ethoxyphenyl)acetamide
CID 54808313
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-tert-butylacetamide
CID 24609674
2-(4-acetamidoanilino)-N-heptylacetamide
CID 54808088
N-tert-butyl-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832569

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-tert-butylacetamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-tert-butylacetamide (CID 28567256) is 2-(4-acetamidoanilino)-N-tert-butylacetamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-tert-butylacetamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-tert-butylacetamide is CC(=O)Nc1ccc(NCC(=O)NC(C)(C)C)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-tert-butylacetamide?
The InChIKey is AEUMKAFDWXRFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(18)16-12-7-5-11(6-8-12)15-9-13(19)17-14(2,3)4/h5-8,15H,9H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of 2-(4-acetamidoanilino)-N-tert-butylacetamide?
2-(4-acetamidoanilino)-N-tert-butylacetamide has a molecular weight of 263.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-tert-butylacetamide is sourced from PubChem (CID 28567256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).