2-(4-amino-3-propoxyanilino)-N,N-dimethylpropanamide

C14H23N3O2 — CID 63672206

IUPAC2-(4-amino-3-propoxyanilino)-N,N-dimethylpropanamide
SMILESCCCOc1cc(NC(C)C(=O)N(C)C)ccc1N
InChIInChI=1S/C14H23N3O2/c1-5-8-19-13-9-11(6-7-12(13)15)16-10(2)14(18)17(3)4/h6-7,9-10,16H,5,8,15H2,1-4H3
InChIKeySEGPJXQBTNGMOH-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.95
Rot. Bonds6

About 2-(4-amino-3-propoxyanilino)-N,N-dimethylpropanamide

2-(4-amino-3-propoxyanilino)-N,N-dimethylpropanamide (PubChem CID 63672206) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(4-amino-3-propoxyanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(4-amino-3-propoxyanilino)-N,N-dimethylpropanamide
PubChem CID63672206
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(4-amino-3-propoxyanilino)-N,N-dimethylpropanamide
SMILESCCCOc1cc(NC(C)C(=O)N(C)C)ccc1N
InChIInChI=1S/C14H23N3O2/c1-5-8-19-13-9-11(6-7-12(13)15)16-10(2)14(18)17(3)4/h6-7,9-10,16H,5,8,15H2,1-4H3
InChIKeySEGPJXQBTNGMOH-UHFFFAOYSA-N
XLogP1.95
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-3-propoxyanilino)-N-methylpropanamide
CID 55232152
2-(4-amino-3-methylanilino)-N,N-dimethylpropanamide
CID 61464522
4-N-octan-4-yl-2-propoxybenzene-1,4-diamine
CID 106022654
methyl 2-(4-amino-3-propoxyanilino)acetate
CID 63671618
4-N-[1-(4-fluorophenyl)ethyl]-2-propoxybenzene-1,4-diamine
CID 63676849
4-(4-amino-3-propoxyanilino)butan-2-ol
CID 64928452
methyl 3-(4-amino-3-propoxyanilino)propanoate
CID 55232749
4-(4-amino-3-propoxyanilino)butanamide
CID 63671493
4-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propoxybenzene-1,4-diamine
CID 63675669
1-(4-amino-3-propoxyanilino)-4-methylpentan-2-ol
CID 107151168
2-(4-methoxy-3-methylanilino)-N,N-dimethylpropanamide
CID 54964418
2-(4-amino-3-methylanilino)-N,N-diethylpropanamide
CID 113408308

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-propoxyanilino)-N,N-dimethylpropanamide?
The IUPAC name of 2-(4-amino-3-propoxyanilino)-N,N-dimethylpropanamide (CID 63672206) is 2-(4-amino-3-propoxyanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(4-amino-3-propoxyanilino)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(4-amino-3-propoxyanilino)-N,N-dimethylpropanamide is CCCOc1cc(NC(C)C(=O)N(C)C)ccc1N.
What is the InChIKey of 2-(4-amino-3-propoxyanilino)-N,N-dimethylpropanamide?
The InChIKey is SEGPJXQBTNGMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-8-19-13-9-11(6-7-12(13)15)16-10(2)14(18)17(3)4/h6-7,9-10,16H,5,8,15H2,1-4H3.
What are the key properties of 2-(4-amino-3-propoxyanilino)-N,N-dimethylpropanamide?
2-(4-amino-3-propoxyanilino)-N,N-dimethylpropanamide has a molecular weight of 265.36 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-propoxyanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 63672206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).