2-(4-amino-3-propoxyanilino)-N-methylpropanamide

C13H21N3O2 — CID 55232152

IUPAC2-(4-amino-3-propoxyanilino)-N-methylpropanamide
SMILESCCCOc1cc(NC(C)C(=O)NC)ccc1N
InChIInChI=1S/C13H21N3O2/c1-4-7-18-12-8-10(5-6-11(12)14)16-9(2)13(17)15-3/h5-6,8-9,16H,4,7,14H2,1-3H3,(H,15,17)
InChIKeyBKLKSGHERKJLPR-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.60
Rot. Bonds6

About 2-(4-amino-3-propoxyanilino)-N-methylpropanamide

2-(4-amino-3-propoxyanilino)-N-methylpropanamide (PubChem CID 55232152) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(4-amino-3-propoxyanilino)-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-amino-3-propoxyanilino)-N-methylpropanamide
PubChem CID55232152
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(4-amino-3-propoxyanilino)-N-methylpropanamide
SMILESCCCOc1cc(NC(C)C(=O)NC)ccc1N
InChIInChI=1S/C13H21N3O2/c1-4-7-18-12-8-10(5-6-11(12)14)16-9(2)13(17)15-3/h5-6,8-9,16H,4,7,14H2,1-3H3,(H,15,17)
InChIKeyBKLKSGHERKJLPR-UHFFFAOYSA-N
XLogP1.60
TPSA76.38 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 ≤ 51.60
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-(4-amino-3-propoxyanilino)-N,N-dimethylpropanamide
CID 63672206
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
2-(4-amino-3-propoxyphenyl)sulfanyl-N-methylacetamide
CID 114231685
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
2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide
CID 113399730
1-(4-amino-3-propoxyanilino)-4-methylpentan-2-ol
CID 107151168
2-[4-amino-3-(trifluoromethyl)anilino]-N-methylpropanamide
CID 54950316

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-propoxyanilino)-N-methylpropanamide?
The IUPAC name of 2-(4-amino-3-propoxyanilino)-N-methylpropanamide (CID 55232152) is 2-(4-amino-3-propoxyanilino)-N-methylpropanamide.
What is the SMILES notation for 2-(4-amino-3-propoxyanilino)-N-methylpropanamide?
The canonical SMILES for 2-(4-amino-3-propoxyanilino)-N-methylpropanamide is CCCOc1cc(NC(C)C(=O)NC)ccc1N.
What is the InChIKey of 2-(4-amino-3-propoxyanilino)-N-methylpropanamide?
The InChIKey is BKLKSGHERKJLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-7-18-12-8-10(5-6-11(12)14)16-9(2)13(17)15-3/h5-6,8-9,16H,4,7,14H2,1-3H3,(H,15,17).
What are the key properties of 2-(4-amino-3-propoxyanilino)-N-methylpropanamide?
2-(4-amino-3-propoxyanilino)-N-methylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-propoxyanilino)-N-methylpropanamide is sourced from PubChem (CID 55232152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).