4-amino-3-methoxy-N-(2,2,6-trimethylheptan-3-yl)butanamide;hydrochloride

C15H33ClN2O2 — CID 120592370

IUPAC4-amino-3-methoxy-N-(2,2,6-trimethylheptan-3-yl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC(CCC(C)C)C(C)(C)C.Cl
InChIInChI=1S/C15H32N2O2.ClH/c1-11(2)7-8-13(15(3,4)5)17-14(18)9-12(10-16)19-6;/h11-13H,7-10,16H2,1-6H3,(H,17,18);1H
InChIKeyKZCOUNNRBICKGF-UHFFFAOYSA-N
MW308.89 g/mol
LogP2.74
Rot. Bonds8

About 4-amino-3-methoxy-N-(2,2,6-trimethylheptan-3-yl)butanamide;hydrochloride

4-amino-3-methoxy-N-(2,2,6-trimethylheptan-3-yl)butanamide;hydrochloride (PubChem CID 120592370) has the molecular formula C15H33ClN2O2 and a molecular weight of 308.89 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(2,2,6-trimethylheptan-3-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(2,2,6-trimethylheptan-3-yl)butanamide;hydrochloride
PubChem CID120592370
Molecular FormulaC15H33ClN2O2
Molecular Weight308.89 g/mol
Exact Mass308.22
IUPAC Name4-amino-3-methoxy-N-(2,2,6-trimethylheptan-3-yl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC(CCC(C)C)C(C)(C)C.Cl
InChIInChI=1S/C15H32N2O2.ClH/c1-11(2)7-8-13(15(3,4)5)17-14(18)9-12(10-16)19-6;/h11-13H,7-10,16H2,1-6H3,(H,17,18);1H
InChIKeyKZCOUNNRBICKGF-UHFFFAOYSA-N
XLogP2.74
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.89
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-3-methoxy-N-(2,2,6-trimethylheptan-3-yl)butanamide;hydrochloride 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-3-methoxy-N-(3-methylbutan-2-yl)butanamide
CID 103154290
methyl N-(2,2,6-trimethylheptan-3-yl)carbamate
CID 59664754
(2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103156564
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide
CID 103156180
4-amino-3-methoxy-N-(4-methyl-4-phenylpentan-2-yl)butanamide;hydrochloride
CID 120590624
4-amino-N-(3-ethylpentan-2-yl)-3-methoxybutanamide
CID 103155921
methyl (2S,3S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-methylpentanoate
CID 120590169
3-[(4-amino-3-methoxybutanoyl)amino]-3-methylbutanamide
CID 106096401
4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methoxybutanamide
CID 103155472
4-amino-3-methoxy-N-pent-4-en-2-ylbutanamide
CID 103156652
2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid
CID 103155386
4-amino-N-(dicyclopropylmethyl)-3-methoxybutanamide
CID 103155504

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(2,2,6-trimethylheptan-3-yl)butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-(2,2,6-trimethylheptan-3-yl)butanamide;hydrochloride (CID 120592370) is 4-amino-3-methoxy-N-(2,2,6-trimethylheptan-3-yl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-(2,2,6-trimethylheptan-3-yl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-(2,2,6-trimethylheptan-3-yl)butanamide;hydrochloride is COC(CN)CC(=O)NC(CCC(C)C)C(C)(C)C.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-(2,2,6-trimethylheptan-3-yl)butanamide;hydrochloride?
The InChIKey is KZCOUNNRBICKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2.ClH/c1-11(2)7-8-13(15(3,4)5)17-14(18)9-12(10-16)19-6;/h11-13H,7-10,16H2,1-6H3,(H,17,18);1H.
What are the key properties of 4-amino-3-methoxy-N-(2,2,6-trimethylheptan-3-yl)butanamide;hydrochloride?
4-amino-3-methoxy-N-(2,2,6-trimethylheptan-3-yl)butanamide;hydrochloride has a molecular weight of 308.89 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(2,2,6-trimethylheptan-3-yl)butanamide;hydrochloride is sourced from PubChem (CID 120592370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).