2-(2-ethanimidoyl-5-methoxyanilino)acetamide

C11H15N3O2 — CID 144505829

IUPAC2-(2-ethanimidoyl-5-methoxyanilino)acetamide
SMILES[H]/N=C(\C)c1ccc(OC)cc1NCC(N)=O
InChIInChI=1S/C11H15N3O2/c1-7(12)9-4-3-8(16-2)5-10(9)14-6-11(13)15/h3-5,12,14H,6H2,1-2H3,(H2,13,15)/b12-7+
InChIKeyUNFPKZLYKZKZRN-KPKJPENVSA-N
MW221.26 g/mol
LogP0.98
Rot. Bonds5

About 2-(2-ethanimidoyl-5-methoxyanilino)acetamide

2-(2-ethanimidoyl-5-methoxyanilino)acetamide (PubChem CID 144505829) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(2-ethanimidoyl-5-methoxyanilino)acetamide.

Molecular Properties

Compound Name2-(2-ethanimidoyl-5-methoxyanilino)acetamide
PubChem CID144505829
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(2-ethanimidoyl-5-methoxyanilino)acetamide
SMILES[H]/N=C(\C)c1ccc(OC)cc1NCC(N)=O
InChIInChI=1S/C11H15N3O2/c1-7(12)9-4-3-8(16-2)5-10(9)14-6-11(13)15/h3-5,12,14H,6H2,1-2H3,(H2,13,15)/b12-7+
InChIKeyUNFPKZLYKZKZRN-KPKJPENVSA-N
XLogP0.98
TPSA88.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-(2-carbamothioyl-5-methoxyanilino)acetamide
CID 115356340
1-(4-methoxy-2-propoxyphenyl)ethanimine
CID 123923522
S-methyl 2-(ethylamino)-4-methoxybenzenecarbothioate
CID 14626447
4-methoxy-2-(phenacylamino)benzoic acid
CID 595749
N-carbamoyl-2-(5-methoxy-2-methylanilino)acetamide
CID 113256460
2-(5-methoxy-2-methylanilino)acetic acid
CID 130496332
3-amino-N-(2,4-dimethoxyphenyl)-3-iminopropanamide
CID 99990373
2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]-4-methoxybenzamide
CID 10385537
2,4-dimethoxybenzenecarboximidamide
CID 4138242
N-carbamoyl-2-(2,4-dimethoxyanilino)acetamide
CID 28570489
ethyl 2-(2,5-dimethoxyanilino)acetate
CID 28576005
N-(2-ethanimidoyl-5-methoxyphenyl)-5-(2-fluorophenyl)pyrimidin-2-amine
CID 144998412

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethanimidoyl-5-methoxyanilino)acetamide?
The IUPAC name of 2-(2-ethanimidoyl-5-methoxyanilino)acetamide (CID 144505829) is 2-(2-ethanimidoyl-5-methoxyanilino)acetamide.
What is the SMILES notation for 2-(2-ethanimidoyl-5-methoxyanilino)acetamide?
The canonical SMILES for 2-(2-ethanimidoyl-5-methoxyanilino)acetamide is [H]/N=C(\C)c1ccc(OC)cc1NCC(N)=O.
What is the InChIKey of 2-(2-ethanimidoyl-5-methoxyanilino)acetamide?
The InChIKey is UNFPKZLYKZKZRN-KPKJPENVSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7(12)9-4-3-8(16-2)5-10(9)14-6-11(13)15/h3-5,12,14H,6H2,1-2H3,(H2,13,15)/b12-7+.
What are the key properties of 2-(2-ethanimidoyl-5-methoxyanilino)acetamide?
2-(2-ethanimidoyl-5-methoxyanilino)acetamide has a molecular weight of 221.26 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethanimidoyl-5-methoxyanilino)acetamide is sourced from PubChem (CID 144505829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).