N-(4-acetamido-2-amino-5-methoxyphenyl)acetamide

C11H15N3O3 — CID 134891379

IUPACN-(4-acetamido-2-amino-5-methoxyphenyl)acetamide
SMILESCOc1cc(NC(C)=O)c(N)cc1NC(C)=O
InChIInChI=1S/C11H15N3O3/c1-6(15)13-9-5-11(17-3)10(4-8(9)12)14-7(2)16/h4-5H,12H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyWWCGNZAXGAKGRM-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.19
Rot. Bonds3

About N-(4-acetamido-2-amino-5-methoxyphenyl)acetamide

N-(4-acetamido-2-amino-5-methoxyphenyl)acetamide (PubChem CID 134891379) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(4-acetamido-2-amino-5-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-acetamido-2-amino-5-methoxyphenyl)acetamide
PubChem CID134891379
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-(4-acetamido-2-amino-5-methoxyphenyl)acetamide
SMILESCOc1cc(NC(C)=O)c(N)cc1NC(C)=O
InChIInChI=1S/C11H15N3O3/c1-6(15)13-9-5-11(17-3)10(4-8(9)12)14-7(2)16/h4-5H,12H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyWWCGNZAXGAKGRM-UHFFFAOYSA-N
XLogP1.19
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-2-amino-5-methoxyphenyl)acetamide?
The IUPAC name of N-(4-acetamido-2-amino-5-methoxyphenyl)acetamide (CID 134891379) is N-(4-acetamido-2-amino-5-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4-acetamido-2-amino-5-methoxyphenyl)acetamide?
The canonical SMILES for N-(4-acetamido-2-amino-5-methoxyphenyl)acetamide is COc1cc(NC(C)=O)c(N)cc1NC(C)=O.
What is the InChIKey of N-(4-acetamido-2-amino-5-methoxyphenyl)acetamide?
The InChIKey is WWCGNZAXGAKGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-6(15)13-9-5-11(17-3)10(4-8(9)12)14-7(2)16/h4-5H,12H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of N-(4-acetamido-2-amino-5-methoxyphenyl)acetamide?
N-(4-acetamido-2-amino-5-methoxyphenyl)acetamide has a molecular weight of 237.26 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-2-amino-5-methoxyphenyl)acetamide is sourced from PubChem (CID 134891379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).