2-(3-amino-5-methoxyanilino)-N-cyclopropylacetamide

C12H17N3O2 — CID 80730738

IUPAC2-(3-amino-5-methoxyanilino)-N-cyclopropylacetamide
SMILESCOc1cc(N)cc(NCC(=O)NC2CC2)c1
InChIInChI=1S/C12H17N3O2/c1-17-11-5-8(13)4-10(6-11)14-7-12(16)15-9-2-3-9/h4-6,9,14H,2-3,7,13H2,1H3,(H,15,16)
InChIKeyGPZABGVDBJFPQJ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.97
Rot. Bonds5

About 2-(3-amino-5-methoxyanilino)-N-cyclopropylacetamide

2-(3-amino-5-methoxyanilino)-N-cyclopropylacetamide (PubChem CID 80730738) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(3-amino-5-methoxyanilino)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(3-amino-5-methoxyanilino)-N-cyclopropylacetamide
PubChem CID80730738
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(3-amino-5-methoxyanilino)-N-cyclopropylacetamide
SMILESCOc1cc(N)cc(NCC(=O)NC2CC2)c1
InChIInChI=1S/C12H17N3O2/c1-17-11-5-8(13)4-10(6-11)14-7-12(16)15-9-2-3-9/h4-6,9,14H,2-3,7,13H2,1H3,(H,15,16)
InChIKeyGPZABGVDBJFPQJ-UHFFFAOYSA-N
XLogP0.97
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.97
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

2-(3-amino-5-methoxyanilino)-N-tert-butylacetamide
CID 113293136
2-(3-amino-5-methoxyanilino)acetamide
CID 80725904
ethyl 2-(3-amino-5-methoxyanilino)acetate
CID 80730548
3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine
CID 80726384
ethyl 4-[[2-(3-methoxyanilino)acetyl]amino]piperidine-1-carboxylate
CID 109003753
[2-(cyclopentylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate
CID 81095131
3-N-(cyclopentylmethyl)-5-methoxybenzene-1,3-diamine
CID 80722168
2-(3-bromo-5-methylanilino)-N-cyclopropylacetamide
CID 104937840
3-amino-N-(4-hydroxycyclohexyl)-5-methoxybenzamide
CID 81090332
methyl 5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]amino]benzoate
CID 61305550
N-cyclopropyl-2-(3-ethoxy-5-nitroanilino)acetamide
CID 80724793
2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-cyclopropylacetamide
CID 43568213

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methoxyanilino)-N-cyclopropylacetamide?
The IUPAC name of 2-(3-amino-5-methoxyanilino)-N-cyclopropylacetamide (CID 80730738) is 2-(3-amino-5-methoxyanilino)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(3-amino-5-methoxyanilino)-N-cyclopropylacetamide?
The canonical SMILES for 2-(3-amino-5-methoxyanilino)-N-cyclopropylacetamide is COc1cc(N)cc(NCC(=O)NC2CC2)c1.
What is the InChIKey of 2-(3-amino-5-methoxyanilino)-N-cyclopropylacetamide?
The InChIKey is GPZABGVDBJFPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-11-5-8(13)4-10(6-11)14-7-12(16)15-9-2-3-9/h4-6,9,14H,2-3,7,13H2,1H3,(H,15,16).
What are the key properties of 2-(3-amino-5-methoxyanilino)-N-cyclopropylacetamide?
2-(3-amino-5-methoxyanilino)-N-cyclopropylacetamide has a molecular weight of 235.29 g/mol, XLogP of 0.97, 5 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)-N-cyclopropylacetamide is sourced from PubChem (CID 80730738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).