3-amino-N-(2-methoxy-3,3-dimethylbutyl)-2-methylbutanamide;hydrochloride

C12H27ClN2O2 — CID 120502078

IUPAC3-amino-N-(2-methoxy-3,3-dimethylbutyl)-2-methylbutanamide;hydrochloride
SMILESCOC(CNC(=O)C(C)C(C)N)C(C)(C)C.Cl
InChIInChI=1S/C12H26N2O2.ClH/c1-8(9(2)13)11(15)14-7-10(16-6)12(3,4)5;/h8-10H,7,13H2,1-6H3,(H,14,15);1H
InChIKeyXZDPRPMLANNUTP-UHFFFAOYSA-N
MW266.81 g/mol
LogP1.57
Rot. Bonds5

About 3-amino-N-(2-methoxy-3,3-dimethylbutyl)-2-methylbutanamide;hydrochloride

3-amino-N-(2-methoxy-3,3-dimethylbutyl)-2-methylbutanamide;hydrochloride (PubChem CID 120502078) has the molecular formula C12H27ClN2O2 and a molecular weight of 266.81 g/mol. Its IUPAC name is 3-amino-N-(2-methoxy-3,3-dimethylbutyl)-2-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-methoxy-3,3-dimethylbutyl)-2-methylbutanamide;hydrochloride
PubChem CID120502078
Molecular FormulaC12H27ClN2O2
Molecular Weight266.81 g/mol
Exact Mass266.18
IUPAC Name3-amino-N-(2-methoxy-3,3-dimethylbutyl)-2-methylbutanamide;hydrochloride
SMILESCOC(CNC(=O)C(C)C(C)N)C(C)(C)C.Cl
InChIInChI=1S/C12H26N2O2.ClH/c1-8(9(2)13)11(15)14-7-10(16-6)12(3,4)5;/h8-10H,7,13H2,1-6H3,(H,14,15);1H
InChIKeyXZDPRPMLANNUTP-UHFFFAOYSA-N
XLogP1.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.81
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-methoxy-3,3-dimethylbutyl)pentanamide;hydrochloride
CID 119341481
methyl 3-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride
CID 120500179
4-amino-N-(2-methoxy-3,3-dimethylbutyl)butanamide;hydrochloride
CID 119341487
3-amino-N-(2-hydroxy-4-methylpentyl)-2-methylbutanamide
CID 103581045
1-amino-N-(2-methoxy-3,3-dimethylbutyl)cyclohexane-1-carboxamide
CID 119341486
3-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylbutanamide
CID 120502200
3-amino-N-(5,5-dimethylhexyl)-2-methylbutanamide
CID 120500484
3-amino-N-[2-(2-methoxyphenoxy)propyl]-2-methylbutanamide;hydrochloride
CID 120501660
3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid
CID 106109032
methyl 3-(2,3-dimethylbutanoylamino)-2-iodopropanoate
CID 103493307
(2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide
CID 78973572
2-[(2,3-dimethylbutanoylamino)methyl]-3-methylbutanoic acid
CID 65219944

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxy-3,3-dimethylbutyl)-2-methylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-methoxy-3,3-dimethylbutyl)-2-methylbutanamide;hydrochloride (CID 120502078) is 3-amino-N-(2-methoxy-3,3-dimethylbutyl)-2-methylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-methoxy-3,3-dimethylbutyl)-2-methylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-methoxy-3,3-dimethylbutyl)-2-methylbutanamide;hydrochloride is COC(CNC(=O)C(C)C(C)N)C(C)(C)C.Cl.
What is the InChIKey of 3-amino-N-(2-methoxy-3,3-dimethylbutyl)-2-methylbutanamide;hydrochloride?
The InChIKey is XZDPRPMLANNUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2.ClH/c1-8(9(2)13)11(15)14-7-10(16-6)12(3,4)5;/h8-10H,7,13H2,1-6H3,(H,14,15);1H.
What are the key properties of 3-amino-N-(2-methoxy-3,3-dimethylbutyl)-2-methylbutanamide;hydrochloride?
3-amino-N-(2-methoxy-3,3-dimethylbutyl)-2-methylbutanamide;hydrochloride has a molecular weight of 266.81 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxy-3,3-dimethylbutyl)-2-methylbutanamide;hydrochloride is sourced from PubChem (CID 120502078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).