4-amino-3-(5-methoxy-2-methylanilino)butanamide

C12H19N3O2 — CID 114252672

IUPAC4-amino-3-(5-methoxy-2-methylanilino)butanamide
SMILESCOc1ccc(C)c(NC(CN)CC(N)=O)c1
InChIInChI=1S/C12H19N3O2/c1-8-3-4-10(17-2)6-11(8)15-9(7-13)5-12(14)16/h3-4,6,9,15H,5,7,13H2,1-2H3,(H2,14,16)
InChIKeyWQFCZHWCGRQFRD-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.62
Rot. Bonds6

About 4-amino-3-(5-methoxy-2-methylanilino)butanamide

4-amino-3-(5-methoxy-2-methylanilino)butanamide (PubChem CID 114252672) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-3-(5-methoxy-2-methylanilino)butanamide.

Molecular Properties

Compound Name4-amino-3-(5-methoxy-2-methylanilino)butanamide
PubChem CID114252672
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-amino-3-(5-methoxy-2-methylanilino)butanamide
SMILESCOc1ccc(C)c(NC(CN)CC(N)=O)c1
InChIInChI=1S/C12H19N3O2/c1-8-3-4-10(17-2)6-11(8)15-9(7-13)5-12(14)16/h3-4,6,9,15H,5,7,13H2,1-2H3,(H2,14,16)
InChIKeyWQFCZHWCGRQFRD-UHFFFAOYSA-N
XLogP0.62
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(5-methoxy-2-methylanilino)butanamide?
The IUPAC name of 4-amino-3-(5-methoxy-2-methylanilino)butanamide (CID 114252672) is 4-amino-3-(5-methoxy-2-methylanilino)butanamide.
What is the SMILES notation for 4-amino-3-(5-methoxy-2-methylanilino)butanamide?
The canonical SMILES for 4-amino-3-(5-methoxy-2-methylanilino)butanamide is COc1ccc(C)c(NC(CN)CC(N)=O)c1.
What is the InChIKey of 4-amino-3-(5-methoxy-2-methylanilino)butanamide?
The InChIKey is WQFCZHWCGRQFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-3-4-10(17-2)6-11(8)15-9(7-13)5-12(14)16/h3-4,6,9,15H,5,7,13H2,1-2H3,(H2,14,16).
What are the key properties of 4-amino-3-(5-methoxy-2-methylanilino)butanamide?
4-amino-3-(5-methoxy-2-methylanilino)butanamide has a molecular weight of 237.30 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(5-methoxy-2-methylanilino)butanamide is sourced from PubChem (CID 114252672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).