2-(3-amino-5-methoxyanilino)acetamide

C9H13N3O2 — CID 80725904

IUPAC2-(3-amino-5-methoxyanilino)acetamide
SMILESCOc1cc(N)cc(NCC(N)=O)c1
InChIInChI=1S/C9H13N3O2/c1-14-8-3-6(10)2-7(4-8)12-5-9(11)13/h2-4,12H,5,10H2,1H3,(H2,11,13)
InChIKeyLDGHCHKDJDWYQE-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.17
Rot. Bonds4

About 2-(3-amino-5-methoxyanilino)acetamide

2-(3-amino-5-methoxyanilino)acetamide (PubChem CID 80725904) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(3-amino-5-methoxyanilino)acetamide.

Molecular Properties

Compound Name2-(3-amino-5-methoxyanilino)acetamide
PubChem CID80725904
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(3-amino-5-methoxyanilino)acetamide
SMILESCOc1cc(N)cc(NCC(N)=O)c1
InChIInChI=1S/C9H13N3O2/c1-14-8-3-6(10)2-7(4-8)12-5-9(11)13/h2-4,12H,5,10H2,1H3,(H2,11,13)
InChIKeyLDGHCHKDJDWYQE-UHFFFAOYSA-N
XLogP0.17
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(3-amino-5-methoxyanilino)acetate
CID 80730548
2-(3-amino-5-methoxyanilino)-N-tert-butylacetamide
CID 113293136
2-(3-amino-5-methoxyanilino)-N-cyclopropylacetamide
CID 80730738
3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide
CID 81089939
3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine
CID 80726384
2-(3-amino-5-methoxyanilino)ethanesulfonamide
CID 80730733
(3-amino-5-methoxyanilino) 2,2-dimethylpropanoate
CID 174752475
3-N-(cyclopentylmethyl)-5-methoxybenzene-1,3-diamine
CID 80722168
2-(3-amino-5-ethoxyanilino)-N,N-dimethylacetamide
CID 80723754
3-[(3-amino-5-methoxyanilino)methyl]pentan-1-ol
CID 80738189
methyl 2-(3-amino-5-methoxyanilino)-4-methylpentanoate
CID 80740245
5-methoxy-3-N-(5,5,5-trifluoropentyl)benzene-1,3-diamine
CID 113326788

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methoxyanilino)acetamide?
The IUPAC name of 2-(3-amino-5-methoxyanilino)acetamide (CID 80725904) is 2-(3-amino-5-methoxyanilino)acetamide.
What is the SMILES notation for 2-(3-amino-5-methoxyanilino)acetamide?
The canonical SMILES for 2-(3-amino-5-methoxyanilino)acetamide is COc1cc(N)cc(NCC(N)=O)c1.
What is the InChIKey of 2-(3-amino-5-methoxyanilino)acetamide?
The InChIKey is LDGHCHKDJDWYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-14-8-3-6(10)2-7(4-8)12-5-9(11)13/h2-4,12H,5,10H2,1H3,(H2,11,13).
What are the key properties of 2-(3-amino-5-methoxyanilino)acetamide?
2-(3-amino-5-methoxyanilino)acetamide has a molecular weight of 195.22 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methoxyanilino)acetamide is sourced from PubChem (CID 80725904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).