2-(3-amino-5-ethoxyanilino)-3-methylbutanamide

C13H21N3O2 — CID 114176141

IUPAC2-(3-amino-5-ethoxyanilino)-3-methylbutanamide
SMILESCCOc1cc(N)cc(NC(C(N)=O)C(C)C)c1
InChIInChI=1S/C13H21N3O2/c1-4-18-11-6-9(14)5-10(7-11)16-12(8(2)3)13(15)17/h5-8,12,16H,4,14H2,1-3H3,(H2,15,17)
InChIKeyUZUVJTRRFDDUNT-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.59
Rot. Bonds6

About 2-(3-amino-5-ethoxyanilino)-3-methylbutanamide

2-(3-amino-5-ethoxyanilino)-3-methylbutanamide (PubChem CID 114176141) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3-amino-5-ethoxyanilino)-3-methylbutanamide.

Molecular Properties

Compound Name2-(3-amino-5-ethoxyanilino)-3-methylbutanamide
PubChem CID114176141
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(3-amino-5-ethoxyanilino)-3-methylbutanamide
SMILESCCOc1cc(N)cc(NC(C(N)=O)C(C)C)c1
InChIInChI=1S/C13H21N3O2/c1-4-18-11-6-9(14)5-10(7-11)16-12(8(2)3)13(15)17/h5-8,12,16H,4,14H2,1-3H3,(H2,15,17)
InChIKeyUZUVJTRRFDDUNT-UHFFFAOYSA-N
XLogP1.59
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.59
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-ethoxyanilino)-N,N-dimethylacetamide
CID 80723754
3-N-(3-methylbutan-2-yl)-5-propoxybenzene-1,3-diamine
CID 80723697
3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide
CID 81091071
3,5-diethoxyaniline
CID 22605063
5-ethoxy-3-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine
CID 80739715
3-N-[1-(2,4-dichlorophenyl)ethyl]-5-ethoxybenzene-1,3-diamine
CID 80726509
2-(3-amino-5-propoxyanilino)-N-ethylpropanamide
CID 80738482
methyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate
CID 81090097
5-ethoxy-3-N-(4-fluorophenyl)benzene-1,3-diamine
CID 80723582
3-amino-5-ethoxy-N-pentan-3-ylbenzamide
CID 81090876
3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102903247
methyl 3-amino-5-ethoxybenzoate
CID 45089063

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-ethoxyanilino)-3-methylbutanamide?
The IUPAC name of 2-(3-amino-5-ethoxyanilino)-3-methylbutanamide (CID 114176141) is 2-(3-amino-5-ethoxyanilino)-3-methylbutanamide.
What is the SMILES notation for 2-(3-amino-5-ethoxyanilino)-3-methylbutanamide?
The canonical SMILES for 2-(3-amino-5-ethoxyanilino)-3-methylbutanamide is CCOc1cc(N)cc(NC(C(N)=O)C(C)C)c1.
What is the InChIKey of 2-(3-amino-5-ethoxyanilino)-3-methylbutanamide?
The InChIKey is UZUVJTRRFDDUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-18-11-6-9(14)5-10(7-11)16-12(8(2)3)13(15)17/h5-8,12,16H,4,14H2,1-3H3,(H2,15,17).
What are the key properties of 2-(3-amino-5-ethoxyanilino)-3-methylbutanamide?
2-(3-amino-5-ethoxyanilino)-3-methylbutanamide has a molecular weight of 251.33 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-ethoxyanilino)-3-methylbutanamide is sourced from PubChem (CID 114176141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).