3-(3-amino-5-propoxyanilino)-2,2-dimethylpropanamide

C14H23N3O2 — CID 106275272

IUPAC3-(3-amino-5-propoxyanilino)-2,2-dimethylpropanamide
SMILESCCCOc1cc(N)cc(NCC(C)(C)C(N)=O)c1
InChIInChI=1S/C14H23N3O2/c1-4-5-19-12-7-10(15)6-11(8-12)17-9-14(2,3)13(16)18/h6-8,17H,4-5,9,15H2,1-3H3,(H2,16,18)
InChIKeyVVBRTKBTVXCNNA-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.98
Rot. Bonds7

About 3-(3-amino-5-propoxyanilino)-2,2-dimethylpropanamide

3-(3-amino-5-propoxyanilino)-2,2-dimethylpropanamide (PubChem CID 106275272) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(3-amino-5-propoxyanilino)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(3-amino-5-propoxyanilino)-2,2-dimethylpropanamide
PubChem CID106275272
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-(3-amino-5-propoxyanilino)-2,2-dimethylpropanamide
SMILESCCCOc1cc(N)cc(NCC(C)(C)C(N)=O)c1
InChIInChI=1S/C14H23N3O2/c1-4-5-19-12-7-10(15)6-11(8-12)17-9-14(2,3)13(16)18/h6-8,17H,4-5,9,15H2,1-3H3,(H2,16,18)
InChIKeyVVBRTKBTVXCNNA-UHFFFAOYSA-N
XLogP1.98
TPSA90.37 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 ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-amino-5-propoxyanilino)-2,2-dimethylpropanamide 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

1-(3-amino-5-propoxyanilino)-2-methylpropan-2-ol
CID 80735376
3-N-(2-ethoxy-2-methylpropyl)-5-propoxybenzene-1,3-diamine
CID 114940615
1-(3-amino-5-propoxyanilino)propan-2-ol
CID 80721564
5-propoxy-3-N-(2,3,3-trimethylbutyl)benzene-1,3-diamine
CID 83142729
5-propoxy-3-N-(3,3,3-trifluoropropyl)benzene-1,3-diamine
CID 80734994
3-N-(3-methoxypropyl)-5-propoxybenzene-1,3-diamine
CID 80721832
3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine
CID 104758765
3-N-[(3,4-difluorophenyl)methyl]-5-propoxybenzene-1,3-diamine
CID 80738657
3-N-[(2-methylphenyl)methyl]-5-propoxybenzene-1,3-diamine
CID 80730750
3-(2-amino-3-propoxyanilino)-2,2-dimethylpropanamide
CID 106275179
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 3-(3-amino-5-propoxyanilino)-2,2-dimethylpropanamide?
The IUPAC name of 3-(3-amino-5-propoxyanilino)-2,2-dimethylpropanamide (CID 106275272) is 3-(3-amino-5-propoxyanilino)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(3-amino-5-propoxyanilino)-2,2-dimethylpropanamide?
The canonical SMILES for 3-(3-amino-5-propoxyanilino)-2,2-dimethylpropanamide is CCCOc1cc(N)cc(NCC(C)(C)C(N)=O)c1.
What is the InChIKey of 3-(3-amino-5-propoxyanilino)-2,2-dimethylpropanamide?
The InChIKey is VVBRTKBTVXCNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-5-19-12-7-10(15)6-11(8-12)17-9-14(2,3)13(16)18/h6-8,17H,4-5,9,15H2,1-3H3,(H2,16,18).
What are the key properties of 3-(3-amino-5-propoxyanilino)-2,2-dimethylpropanamide?
3-(3-amino-5-propoxyanilino)-2,2-dimethylpropanamide has a molecular weight of 265.36 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-propoxyanilino)-2,2-dimethylpropanamide is sourced from PubChem (CID 106275272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).