2-(3-amino-5-methoxyanilino)-N-tert-butylacetamide

C13H21N3O2 — CID 113293136

IUPAC2-(3-amino-5-methoxyanilino)-N-tert-butylacetamide
SMILESCOc1cc(N)cc(NCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C13H21N3O2/c1-13(2,3)16-12(17)8-15-10-5-9(14)6-11(7-10)18-4/h5-7,15H,8,14H2,1-4H3,(H,16,17)
InChIKeyQRMUJUUIHDDUCX-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.60
Rot. Bonds4

About 2-(3-amino-5-methoxyanilino)-N-tert-butylacetamide

2-(3-amino-5-methoxyanilino)-N-tert-butylacetamide (PubChem CID 113293136) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3-amino-5-methoxyanilino)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(3-amino-5-methoxyanilino)-N-tert-butylacetamide
PubChem CID113293136
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(3-amino-5-methoxyanilino)-N-tert-butylacetamide
SMILESCOc1cc(N)cc(NCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C13H21N3O2/c1-13(2,3)16-12(17)8-15-10-5-9(14)6-11(7-10)18-4/h5-7,15H,8,14H2,1-4H3,(H,16,17)
InChIKeyQRMUJUUIHDDUCX-UHFFFAOYSA-N
XLogP1.60
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-amino-5-methoxyanilino)-N-tert-butylacetamide 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-(3-amino-5-methoxyanilino)acetamide
CID 80725904
2-(3-amino-5-methoxyanilino)-N-cyclopropylacetamide
CID 80730738
N-tert-butyl-2-(3-methoxy-5-nitroanilino)acetamide
CID 80533576
ethyl 2-(3-amino-5-methoxyanilino)acetate
CID 80730548
2-[(5-amino-3-pyridinyl)amino]-N-tert-butylacetamide
CID 104535517
(3-amino-5-methoxyanilino) 2,2-dimethylpropanoate
CID 174752475
3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine
CID 80726384
2-(3-amino-5-methoxyanilino)ethanesulfonamide
CID 80730733
N-tert-butyl-2-(2-carbamothioyl-5-methoxyanilino)acetamide
CID 115356340
3-N-(cyclopentylmethyl)-5-methoxybenzene-1,3-diamine
CID 80722168
2-(tert-butylamino)-N-(3,5-dimethoxyphenyl)acetamide
CID 27150052
N-butyl-2-(3,5-dimethoxyanilino)acetamide
CID 32913276

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methoxyanilino)-N-tert-butylacetamide?
The IUPAC name of 2-(3-amino-5-methoxyanilino)-N-tert-butylacetamide (CID 113293136) is 2-(3-amino-5-methoxyanilino)-N-tert-butylacetamide.
What is the SMILES notation for 2-(3-amino-5-methoxyanilino)-N-tert-butylacetamide?
The canonical SMILES for 2-(3-amino-5-methoxyanilino)-N-tert-butylacetamide is COc1cc(N)cc(NCC(=O)NC(C)(C)C)c1.
What is the InChIKey of 2-(3-amino-5-methoxyanilino)-N-tert-butylacetamide?
The InChIKey is QRMUJUUIHDDUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,3)16-12(17)8-15-10-5-9(14)6-11(7-10)18-4/h5-7,15H,8,14H2,1-4H3,(H,16,17).
What are the key properties of 2-(3-amino-5-methoxyanilino)-N-tert-butylacetamide?
2-(3-amino-5-methoxyanilino)-N-tert-butylacetamide has a molecular weight of 251.33 g/mol, XLogP of 1.60, 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)-N-tert-butylacetamide is sourced from PubChem (CID 113293136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).