2-acetamido-N-[(4-aminophenyl)methyl]acetamide;methoxymethane

C13H21N3O3 — CID 143901890

IUPAC2-acetamido-N-[(4-aminophenyl)methyl]acetamide;methoxymethane
SMILESCC(=O)NCC(=O)NCc1ccc(N)cc1.COC
InChIInChI=1S/C11H15N3O2.C2H6O/c1-8(15)13-7-11(16)14-6-9-2-4-10(12)5-3-9;1-3-2/h2-5H,6-7,12H2,1H3,(H,13,15)(H,14,16);1-2H3
InChIKeyPPZLAROCLHXZCF-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.28
Rot. Bonds4

About 2-acetamido-N-[(4-aminophenyl)methyl]acetamide;methoxymethane

2-acetamido-N-[(4-aminophenyl)methyl]acetamide;methoxymethane (PubChem CID 143901890) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-acetamido-N-[(4-aminophenyl)methyl]acetamide;methoxymethane.

Molecular Properties

Compound Name2-acetamido-N-[(4-aminophenyl)methyl]acetamide;methoxymethane
PubChem CID143901890
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-acetamido-N-[(4-aminophenyl)methyl]acetamide;methoxymethane
SMILESCC(=O)NCC(=O)NCc1ccc(N)cc1.COC
InChIInChI=1S/C11H15N3O2.C2H6O/c1-8(15)13-7-11(16)14-6-9-2-4-10(12)5-3-9;1-3-2/h2-5H,6-7,12H2,1H3,(H,13,15)(H,14,16);1-2H3
InChIKeyPPZLAROCLHXZCF-UHFFFAOYSA-N
XLogP0.28
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 143901871
2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 60559844
2-acetamido-N-[(4-carbamimidoylphenyl)methyl]acetamide
CID 70335688
3-[(4-aminophenyl)methylamino]-3-oxopropanoic acid
CID 110480209
N-[(4-aminophenyl)methyl]-2-chloroacetamide
CID 21219637
N-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide
CID 60893152
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
methyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
CID 47300199
2-(4-aminophenoxy)-N-[(4-ethylphenyl)methyl]acetamide
CID 106899089
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
N-[(4-iodophenyl)methyl]acetamide
CID 23111624
[4-(acetamidomethyl)phenyl] acetate
CID 15576450

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(4-aminophenyl)methyl]acetamide;methoxymethane?
The IUPAC name of 2-acetamido-N-[(4-aminophenyl)methyl]acetamide;methoxymethane (CID 143901890) is 2-acetamido-N-[(4-aminophenyl)methyl]acetamide;methoxymethane.
What is the SMILES notation for 2-acetamido-N-[(4-aminophenyl)methyl]acetamide;methoxymethane?
The canonical SMILES for 2-acetamido-N-[(4-aminophenyl)methyl]acetamide;methoxymethane is CC(=O)NCC(=O)NCc1ccc(N)cc1.COC.
What is the InChIKey of 2-acetamido-N-[(4-aminophenyl)methyl]acetamide;methoxymethane?
The InChIKey is PPZLAROCLHXZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2.C2H6O/c1-8(15)13-7-11(16)14-6-9-2-4-10(12)5-3-9;1-3-2/h2-5H,6-7,12H2,1H3,(H,13,15)(H,14,16);1-2H3.
What are the key properties of 2-acetamido-N-[(4-aminophenyl)methyl]acetamide;methoxymethane?
2-acetamido-N-[(4-aminophenyl)methyl]acetamide;methoxymethane has a molecular weight of 267.33 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(4-aminophenyl)methyl]acetamide;methoxymethane is sourced from PubChem (CID 143901890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).