N-(1-amino-4-methylpentan-3-yl)-4-methoxy-3-methylbutanamide

C12H26N2O2 — CID 106356788

IUPACN-(1-amino-4-methylpentan-3-yl)-4-methoxy-3-methylbutanamide
SMILESCOCC(C)CC(=O)NC(CCN)C(C)C
InChIInChI=1S/C12H26N2O2/c1-9(2)11(5-6-13)14-12(15)7-10(3)8-16-4/h9-11H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyFTWHLXMVAOWULM-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.15
Rot. Bonds8

About N-(1-amino-4-methylpentan-3-yl)-4-methoxy-3-methylbutanamide

N-(1-amino-4-methylpentan-3-yl)-4-methoxy-3-methylbutanamide (PubChem CID 106356788) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-3-yl)-4-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-3-yl)-4-methoxy-3-methylbutanamide
PubChem CID106356788
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-(1-amino-4-methylpentan-3-yl)-4-methoxy-3-methylbutanamide
SMILESCOCC(C)CC(=O)NC(CCN)C(C)C
InChIInChI=1S/C12H26N2O2/c1-9(2)11(5-6-13)14-12(15)7-10(3)8-16-4/h9-11H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyFTWHLXMVAOWULM-UHFFFAOYSA-N
XLogP1.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-4-methylpentan-3-yl)-4-methoxy-3-methylbutanamide 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

N-(4-amino-1-methoxybutan-2-yl)-4-methoxy-3-methylbutanamide
CID 106152366
N-[2-(2-aminoethyl)pentyl]-4-methoxy-3-methylbutanamide
CID 106116087
N-(1-methoxy-4-methylpentan-3-yl)propanamide
CID 163271813
N-but-3-yn-2-yl-4-methoxy-3-methylbutanamide
CID 114389809
N-(1-amino-4-methylpentan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106356889
2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053483
2-amino-N-[2-[(1-methoxy-3-methylbutan-2-yl)amino]-2-oxoethyl]acetamide
CID 65049070
N-(1-amino-4-methylpentan-3-yl)-2-methylbutanamide
CID 106356922
N-(5-amino-2,2-dimethylpentyl)-4-methoxy-3-methylbutanamide
CID 106140831
4-methoxy-3-methyl-N-pent-1-yn-3-ylbutanamide
CID 103578918
N-(1-amino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide
CID 65190783
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide
CID 103156180

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-3-yl)-4-methoxy-3-methylbutanamide?
The IUPAC name of N-(1-amino-4-methylpentan-3-yl)-4-methoxy-3-methylbutanamide (CID 106356788) is N-(1-amino-4-methylpentan-3-yl)-4-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-3-yl)-4-methoxy-3-methylbutanamide?
The canonical SMILES for N-(1-amino-4-methylpentan-3-yl)-4-methoxy-3-methylbutanamide is COCC(C)CC(=O)NC(CCN)C(C)C.
What is the InChIKey of N-(1-amino-4-methylpentan-3-yl)-4-methoxy-3-methylbutanamide?
The InChIKey is FTWHLXMVAOWULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-9(2)11(5-6-13)14-12(15)7-10(3)8-16-4/h9-11H,5-8,13H2,1-4H3,(H,14,15).
What are the key properties of N-(1-amino-4-methylpentan-3-yl)-4-methoxy-3-methylbutanamide?
N-(1-amino-4-methylpentan-3-yl)-4-methoxy-3-methylbutanamide has a molecular weight of 230.35 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-3-yl)-4-methoxy-3-methylbutanamide is sourced from PubChem (CID 106356788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).