N-[4-(2-amino-2-iminoethoxy)-2-methylphenyl]acetamide

C11H15N3O2 — CID 99976130

IUPACN-[4-(2-amino-2-iminoethoxy)-2-methylphenyl]acetamide
SMILES[H]/N=C(\N)COc1ccc(NC(C)=O)c(C)c1
InChIInChI=1S/C11H15N3O2/c1-7-5-9(16-6-11(12)13)3-4-10(7)14-8(2)15/h3-5H,6H2,1-2H3,(H3,12,13)(H,14,15)
InChIKeyFLIQERRLUMYGNH-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.27
Rot. Bonds4

About N-[4-(2-amino-2-iminoethoxy)-2-methylphenyl]acetamide

N-[4-(2-amino-2-iminoethoxy)-2-methylphenyl]acetamide (PubChem CID 99976130) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[4-(2-amino-2-iminoethoxy)-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-iminoethoxy)-2-methylphenyl]acetamide
PubChem CID99976130
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-[4-(2-amino-2-iminoethoxy)-2-methylphenyl]acetamide
SMILES[H]/N=C(\N)COc1ccc(NC(C)=O)c(C)c1
InChIInChI=1S/C11H15N3O2/c1-7-5-9(16-6-11(12)13)3-4-10(7)14-8(2)15/h3-5H,6H2,1-2H3,(H3,12,13)(H,14,15)
InChIKeyFLIQERRLUMYGNH-UHFFFAOYSA-N
XLogP1.27
TPSA88.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[4-(2-amino-2-iminoethoxy)-2-methylphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-3-methylphenoxy)ethanimidamide
CID 43185947
3-amino-N-(2,4-dimethylphenyl)-3-iminopropanamide
CID 99990198
tert-butyl 2-[4-[(4-carbamimidoylbenzoyl)carbamoylamino]-3-methylphenoxy]acetate
CID 23370049
2-[4-(butanoylamino)-3-methylphenoxy]acetic acid
CID 119231512
2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231676
(2-methyl-4-propoxyphenyl)carbamic acid
CID 118108315
methyl 2-[4-(4-aminobutanoylamino)-3-methylphenoxy]acetate
CID 119299848
methyl 2-[4-[(1-aminocyclopropanecarbonyl)amino]-3-methylphenoxy]acetate
CID 119742503
ethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate
CID 15429168
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 1122557
2-[3-methyl-4-(3-methylbutanoylamino)phenoxy]acetic acid
CID 119231825
N-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 134019332

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-iminoethoxy)-2-methylphenyl]acetamide?
The IUPAC name of N-[4-(2-amino-2-iminoethoxy)-2-methylphenyl]acetamide (CID 99976130) is N-[4-(2-amino-2-iminoethoxy)-2-methylphenyl]acetamide.
What is the SMILES notation for N-[4-(2-amino-2-iminoethoxy)-2-methylphenyl]acetamide?
The canonical SMILES for N-[4-(2-amino-2-iminoethoxy)-2-methylphenyl]acetamide is [H]/N=C(\N)COc1ccc(NC(C)=O)c(C)c1.
What is the InChIKey of N-[4-(2-amino-2-iminoethoxy)-2-methylphenyl]acetamide?
The InChIKey is FLIQERRLUMYGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-5-9(16-6-11(12)13)3-4-10(7)14-8(2)15/h3-5H,6H2,1-2H3,(H3,12,13)(H,14,15).
What are the key properties of N-[4-(2-amino-2-iminoethoxy)-2-methylphenyl]acetamide?
N-[4-(2-amino-2-iminoethoxy)-2-methylphenyl]acetamide has a molecular weight of 221.26 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-iminoethoxy)-2-methylphenyl]acetamide is sourced from PubChem (CID 99976130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).