2-(3-amino-5-propoxyanilino)-N-ethylpropanamide

C14H23N3O2 — CID 80738482

IUPAC2-(3-amino-5-propoxyanilino)-N-ethylpropanamide
SMILESCCCOc1cc(N)cc(NC(C)C(=O)NCC)c1
InChIInChI=1S/C14H23N3O2/c1-4-6-19-13-8-11(15)7-12(9-13)17-10(3)14(18)16-5-2/h7-10,17H,4-6,15H2,1-3H3,(H,16,18)
InChIKeyAYFHTRNODSGTBO-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.99
Rot. Bonds7

About 2-(3-amino-5-propoxyanilino)-N-ethylpropanamide

2-(3-amino-5-propoxyanilino)-N-ethylpropanamide (PubChem CID 80738482) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(3-amino-5-propoxyanilino)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(3-amino-5-propoxyanilino)-N-ethylpropanamide
PubChem CID80738482
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(3-amino-5-propoxyanilino)-N-ethylpropanamide
SMILESCCCOc1cc(N)cc(NC(C)C(=O)NCC)c1
InChIInChI=1S/C14H23N3O2/c1-4-6-19-13-8-11(15)7-12(9-13)17-10(3)14(18)16-5-2/h7-10,17H,4-6,15H2,1-3H3,(H,16,18)
InChIKeyAYFHTRNODSGTBO-UHFFFAOYSA-N
XLogP1.99
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.99
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

3-N-(3-methylbutan-2-yl)-5-propoxybenzene-1,3-diamine
CID 80723697
3-N-(1-methylsulfonylpropan-2-yl)-5-propoxybenzene-1,3-diamine
CID 80736100
2-(3,5-dimethylanilino)-N-ethylpropanamide
CID 43086091
2-(3-amino-5-methylanilino)-N-propylpropanamide
CID 112647452
1-(3-amino-5-propoxyanilino)propan-2-ol
CID 80721564
N-butyl-2-(4-propoxyanilino)propanamide
CID 62329025
5-propoxy-3-N-(2,3,3-trimethylbutyl)benzene-1,3-diamine
CID 83142729
3-(3-amino-5-propoxyanilino)-2,2-dimethylpropanamide
CID 106275272
3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine
CID 104758765
2-(3-amino-5-ethoxyanilino)-3-methylbutanamide
CID 114176141
5-(3-amino-5-propoxyanilino)pentan-2-ol
CID 106119873
3-N-(3,5-dimethylphenyl)-5-propoxybenzene-1,3-diamine
CID 80722258

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-propoxyanilino)-N-ethylpropanamide?
The IUPAC name of 2-(3-amino-5-propoxyanilino)-N-ethylpropanamide (CID 80738482) is 2-(3-amino-5-propoxyanilino)-N-ethylpropanamide.
What is the SMILES notation for 2-(3-amino-5-propoxyanilino)-N-ethylpropanamide?
The canonical SMILES for 2-(3-amino-5-propoxyanilino)-N-ethylpropanamide is CCCOc1cc(N)cc(NC(C)C(=O)NCC)c1.
What is the InChIKey of 2-(3-amino-5-propoxyanilino)-N-ethylpropanamide?
The InChIKey is AYFHTRNODSGTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-6-19-13-8-11(15)7-12(9-13)17-10(3)14(18)16-5-2/h7-10,17H,4-6,15H2,1-3H3,(H,16,18).
What are the key properties of 2-(3-amino-5-propoxyanilino)-N-ethylpropanamide?
2-(3-amino-5-propoxyanilino)-N-ethylpropanamide has a molecular weight of 265.36 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-propoxyanilino)-N-ethylpropanamide is sourced from PubChem (CID 80738482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).