4-amino-3-(4-fluoro-3-methoxyanilino)-N-propylbutanamide

C14H22FN3O2 — CID 114838945

IUPAC4-amino-3-(4-fluoro-3-methoxyanilino)-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)Nc1ccc(F)c(OC)c1
InChIInChI=1S/C14H22FN3O2/c1-3-6-17-14(19)8-11(9-16)18-10-4-5-12(15)13(7-10)20-2/h4-5,7,11,18H,3,6,8-9,16H2,1-2H3,(H,17,19)
InChIKeyGUTDMPUDZAJAIM-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.49
Rot. Bonds8

About 4-amino-3-(4-fluoro-3-methoxyanilino)-N-propylbutanamide

4-amino-3-(4-fluoro-3-methoxyanilino)-N-propylbutanamide (PubChem CID 114838945) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-amino-3-(4-fluoro-3-methoxyanilino)-N-propylbutanamide.

Molecular Properties

Compound Name4-amino-3-(4-fluoro-3-methoxyanilino)-N-propylbutanamide
PubChem CID114838945
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC Name4-amino-3-(4-fluoro-3-methoxyanilino)-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)Nc1ccc(F)c(OC)c1
InChIInChI=1S/C14H22FN3O2/c1-3-6-17-14(19)8-11(9-16)18-10-4-5-12(15)13(7-10)20-2/h4-5,7,11,18H,3,6,8-9,16H2,1-2H3,(H,17,19)
InChIKeyGUTDMPUDZAJAIM-UHFFFAOYSA-N
XLogP1.49
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(4-fluoro-3-methoxyanilino)propan-1-ol
CID 114839015
4-amino-3-(3-chloroanilino)-N-propylbutanamide
CID 66429319
4-amino-3-(4-bromo-3,5-dimethylanilino)-N-propylbutanamide
CID 107573090
2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide
CID 43380767
2-N-(4-fluoro-3-methoxyphenyl)-3-methylhexane-1,2-diamine
CID 114839130
3-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-5-methylhexanamide
CID 114839771
4-fluoro-N-heptan-3-yl-3-methoxyaniline
CID 114838067
N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839038
3-(4-amino-3-methoxyanilino)-N-propylpropanamide
CID 63676677
2-(4-fluoro-3-methoxyanilino)-N-methylpropanamide
CID 114839350
ethyl N-(4-fluoro-3-methoxyphenyl)carbamate
CID 114840894
4-amino-3-(3-bromo-4-fluoroanilino)-N-propan-2-ylbutanamide
CID 104776364

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-fluoro-3-methoxyanilino)-N-propylbutanamide?
The IUPAC name of 4-amino-3-(4-fluoro-3-methoxyanilino)-N-propylbutanamide (CID 114838945) is 4-amino-3-(4-fluoro-3-methoxyanilino)-N-propylbutanamide.
What is the SMILES notation for 4-amino-3-(4-fluoro-3-methoxyanilino)-N-propylbutanamide?
The canonical SMILES for 4-amino-3-(4-fluoro-3-methoxyanilino)-N-propylbutanamide is CCCNC(=O)CC(CN)Nc1ccc(F)c(OC)c1.
What is the InChIKey of 4-amino-3-(4-fluoro-3-methoxyanilino)-N-propylbutanamide?
The InChIKey is GUTDMPUDZAJAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-3-6-17-14(19)8-11(9-16)18-10-4-5-12(15)13(7-10)20-2/h4-5,7,11,18H,3,6,8-9,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-3-(4-fluoro-3-methoxyanilino)-N-propylbutanamide?
4-amino-3-(4-fluoro-3-methoxyanilino)-N-propylbutanamide has a molecular weight of 283.35 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-fluoro-3-methoxyanilino)-N-propylbutanamide is sourced from PubChem (CID 114838945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).