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

C14H23N3O2 — CID 106275179

IUPAC3-(2-amino-3-propoxyanilino)-2,2-dimethylpropanamide
SMILESCCCOc1cccc(NCC(C)(C)C(N)=O)c1N
InChIInChI=1S/C14H23N3O2/c1-4-8-19-11-7-5-6-10(12(11)15)17-9-14(2,3)13(16)18/h5-7,17H,4,8-9,15H2,1-3H3,(H2,16,18)
InChIKeyAIOUGTXOISHNGE-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.98
Rot. Bonds7

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

3-(2-amino-3-propoxyanilino)-2,2-dimethylpropanamide (PubChem CID 106275179) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(2-amino-3-propoxyanilino)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(2-amino-3-propoxyanilino)-2,2-dimethylpropanamide
PubChem CID106275179
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-(2-amino-3-propoxyanilino)-2,2-dimethylpropanamide
SMILESCCCOc1cccc(NCC(C)(C)C(N)=O)c1N
InChIInChI=1S/C14H23N3O2/c1-4-8-19-11-7-5-6-10(12(11)15)17-9-14(2,3)13(16)18/h5-7,17H,4,8-9,15H2,1-3H3,(H2,16,18)
InChIKeyAIOUGTXOISHNGE-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'}

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Related Compounds

2-(2-amino-3-propoxyanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107845644
5-(2-amino-3-propoxyanilino)pentan-1-ol
CID 107316474
2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol
CID 81414196
2-(2-amino-3-ethoxyanilino)ethylurea
CID 113392780
1-N-(2-ethylhexyl)-3-propoxybenzene-1,2-diamine
CID 107819831
2-amino-2-methyl-N-(2-propoxyphenyl)propanamide
CID 61265402
3-ethoxy-1-N-(2-methyl-2-methylsulfanylpropyl)benzene-1,2-diamine
CID 113478575
2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide
CID 114327800
methyl 3-(2-amino-3-ethoxyanilino)propanoate
CID 113392554
1-N-[2-(cyclohexen-1-yl)ethyl]-3-propoxybenzene-1,2-diamine
CID 107846137
1-N-(2,3-dihydro-1H-inden-2-yl)-3-propoxybenzene-1,2-diamine
CID 107844538
2,2-dimethyl-3-[2-(propylsulfamoyl)anilino]propanamide
CID 106277705

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3-propoxyanilino)-2,2-dimethylpropanamide?
The IUPAC name of 3-(2-amino-3-propoxyanilino)-2,2-dimethylpropanamide (CID 106275179) is 3-(2-amino-3-propoxyanilino)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(2-amino-3-propoxyanilino)-2,2-dimethylpropanamide?
The canonical SMILES for 3-(2-amino-3-propoxyanilino)-2,2-dimethylpropanamide is CCCOc1cccc(NCC(C)(C)C(N)=O)c1N.
What is the InChIKey of 3-(2-amino-3-propoxyanilino)-2,2-dimethylpropanamide?
The InChIKey is AIOUGTXOISHNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-8-19-11-7-5-6-10(12(11)15)17-9-14(2,3)13(16)18/h5-7,17H,4,8-9,15H2,1-3H3,(H2,16,18).
What are the key properties of 3-(2-amino-3-propoxyanilino)-2,2-dimethylpropanamide?
3-(2-amino-3-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-(2-amino-3-propoxyanilino)-2,2-dimethylpropanamide is sourced from PubChem (CID 106275179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).