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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Related Compounds

2-(5-methoxy-2-methylanilino)butanamide
CID 167770796
N-carbamoyl-2-(5-methoxy-2-methylanilino)acetamide
CID 113256460
2-(5-methoxy-2-methylanilino)acetic acid
CID 130496332
2-amino-3-methoxy-N-(5-methoxy-2-methylphenyl)propanamide
CID 114252735
tert-butyl N-[4-amino-3-(2-fluoro-5-methoxyanilino)butyl]carbamate
CID 102730346
N-(1-aminobutan-2-yl)-2,4-dimethoxybenzamide
CID 63755359
3-amino-3-(2-hydroxy-4-methoxyphenyl)propanamide
CID 170875667
N,N'-bis(5-methoxy-2-methylphenyl)decanediamide
CID 10670784
3-amino-3-(2,4-dimethoxyphenyl)propanamide
CID 23366621
2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methoxybenzoic acid
CID 115411602
3-bromo-N-(5-methoxy-2-methylphenyl)propanamide
CID 130496323
N-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 63754997

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).