2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide

C13H19ClN2O — CID 78907391

IUPAC2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide
SMILESCC(C)(C)NCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-13(2,3)16-9-12(17)15-8-10-4-6-11(14)7-5-10/h4-7,16H,8-9H2,1-3H3,(H,15,17)
InChIKeyVZEQTYWPXBRNRD-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.34
Rot. Bonds4

About 2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide

2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 78907391) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID78907391
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide
SMILESCC(C)(C)NCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-13(2,3)16-9-12(17)15-8-10-4-6-11(14)7-5-10/h4-7,16H,8-9H2,1-3H3,(H,15,17)
InChIKeyVZEQTYWPXBRNRD-UHFFFAOYSA-N
XLogP2.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79790533
N-[(4-tert-butylphenyl)methyl]-2-(4-chloroanilino)acetamide
CID 68695951
2-(tert-butylamino)-N-[(4-nitrophenyl)methyl]acetamide
CID 49489257
(2R)-2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 83193742
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylsulfonylamino]acetamide
CID 110285326
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908353
2-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81223186
N-[(4-chlorophenyl)methyl]-2-(propylsulfonylamino)acetamide
CID 110285291
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 8796001
N-tert-butyl-2-[[N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111130902
N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide
CID 51178267
methyl 4-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 26417354

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide (CID 78907391) is 2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide is CC(C)(C)NCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is VZEQTYWPXBRNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-13(2,3)16-9-12(17)15-8-10-4-6-11(14)7-5-10/h4-7,16H,8-9H2,1-3H3,(H,15,17).
What are the key properties of 2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide?
2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 254.76 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 78907391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).