N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpropanamide

C13H19N3O2 — CID 61267036

IUPACN-[(4-acetamidophenyl)methyl]-2-amino-2-methylpropanamide
SMILESCC(=O)Nc1ccc(CNC(=O)C(C)(C)N)cc1
InChIInChI=1S/C13H19N3O2/c1-9(17)16-11-6-4-10(5-7-11)8-15-12(18)13(2,3)14/h4-7H,8,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyAHNZRTRNKHAYDV-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.00
Rot. Bonds4

About N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpropanamide

N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpropanamide (PubChem CID 61267036) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpropanamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-2-amino-2-methylpropanamide
PubChem CID61267036
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[(4-acetamidophenyl)methyl]-2-amino-2-methylpropanamide
SMILESCC(=O)Nc1ccc(CNC(=O)C(C)(C)N)cc1
InChIInChI=1S/C13H19N3O2/c1-9(17)16-11-6-4-10(5-7-11)8-15-12(18)13(2,3)14/h4-7H,8,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyAHNZRTRNKHAYDV-UHFFFAOYSA-N
XLogP1.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpentanamide
CID 61258515
2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide
CID 110480064
(2S)-N-[(4-acetamidophenyl)methyl]-2-aminopropanamide
CID 78969011
4-[(4-acetamidophenyl)methylamino]benzoic acid
CID 43139218
(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-3-methylbutanamide
CID 79012217
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide
CID 61260318
N-[4-(2,2-dimethylpropyl)phenyl]acetamide
CID 825793
2-amino-3,3,3-trifluoro-2-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 79796775
2-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-methylpropanamide
CID 61265996
N-[(4-acetamidophenyl)methyl]-2-methoxyacetamide
CID 29327648
2-amino-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 83530042
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride
CID 119277262

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpropanamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpropanamide (CID 61267036) is N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpropanamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpropanamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpropanamide is CC(=O)Nc1ccc(CNC(=O)C(C)(C)N)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpropanamide?
The InChIKey is AHNZRTRNKHAYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(17)16-11-6-4-10(5-7-11)8-15-12(18)13(2,3)14/h4-7H,8,14H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpropanamide?
N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpropanamide has a molecular weight of 249.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpropanamide is sourced from PubChem (CID 61267036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).