4-amino-3-methoxy-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide

C13H26N2O3 — CID 120593000

IUPAC4-amino-3-methoxy-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide
SMILESCOC(CN)CC(=O)N(C)CCC1CCOCC1
InChIInChI=1S/C13H26N2O3/c1-15(13(16)9-12(10-14)17-2)6-3-11-4-7-18-8-5-11/h11-12H,3-10,14H2,1-2H3
InChIKeyZNHYWGZIQBOBSD-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.63
Rot. Bonds7

About 4-amino-3-methoxy-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide

4-amino-3-methoxy-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide (PubChem CID 120593000) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide
PubChem CID120593000
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name4-amino-3-methoxy-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide
SMILESCOC(CN)CC(=O)N(C)CCC1CCOCC1
InChIInChI=1S/C13H26N2O3/c1-15(13(16)9-12(10-14)17-2)6-3-11-4-7-18-8-5-11/h11-12H,3-10,14H2,1-2H3
InChIKeyZNHYWGZIQBOBSD-UHFFFAOYSA-N
XLogP0.63
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-3-methoxy-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(2-cyclohexylethyl)-3-methoxy-N-methylbutanamide;hydrochloride
CID 120591214
2-amino-4-[methyl-[2-(oxan-4-yl)ethyl]amino]-4-oxobutanoic acid
CID 115181196
4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide
CID 115155515
4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]pentanamide
CID 115156830
3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid
CID 115163624
3-amino-4-[methyl-[2-(oxan-4-yl)ethyl]amino]-4-oxobutanoic acid
CID 115181361
2-methoxy-N'-methyl-N'-(oxan-4-ylmethyl)butane-1,4-diamine
CID 103152553
2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid
CID 115179520
4-amino-3-methoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 103155857
2-(4-aminophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
CID 119798084
N-(2-hydroxyethyl)-N-methyl-3-(oxan-4-yl)propanamide
CID 84578578
4-amino-N-(dicyclopropylmethyl)-3-methoxy-N-methylbutanamide
CID 120590887

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide (CID 120593000) is 4-amino-3-methoxy-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide is COC(CN)CC(=O)N(C)CCC1CCOCC1.
What is the InChIKey of 4-amino-3-methoxy-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide?
The InChIKey is ZNHYWGZIQBOBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-15(13(16)9-12(10-14)17-2)6-3-11-4-7-18-8-5-11/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 4-amino-3-methoxy-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide?
4-amino-3-methoxy-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide has a molecular weight of 258.36 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide is sourced from PubChem (CID 120593000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).