N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride

C12H27ClN2O2 — CID 119803241

IUPACN-(4-methoxy-4-methylpentan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(C)CC(C)(C)OC.Cl
InChIInChI=1S/C12H26N2O2.ClH/c1-9(8-13-5)11(15)14-10(2)7-12(3,4)16-6;/h9-10,13H,7-8H2,1-6H3,(H,14,15);1H
InChIKeyDOQHBZDKCGQNEE-UHFFFAOYSA-N
MW266.81 g/mol
LogP1.58
Rot. Bonds7

About N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride

N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119803241) has the molecular formula C12H27ClN2O2 and a molecular weight of 266.81 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119803241
Molecular FormulaC12H27ClN2O2
Molecular Weight266.81 g/mol
Exact Mass266.18
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(C)CC(C)(C)OC.Cl
InChIInChI=1S/C12H26N2O2.ClH/c1-9(8-13-5)11(15)14-10(2)7-12(3,4)16-6;/h9-10,13H,7-8H2,1-6H3,(H,14,15);1H
InChIKeyDOQHBZDKCGQNEE-UHFFFAOYSA-N
XLogP1.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.81
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(4-methoxy-4-methylpentan-2-yl)carbamate
CID 173238206
2-methyl-3-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 119755787
2-methyl-3-(methylamino)-N-(5-methylhexan-2-yl)propanamide
CID 79195498
2-methyl-3-(methylamino)-N-propan-2-ylpropanamide
CID 79196226
N-(4-methoxy-4-methylpentan-2-yl)hydroxylamine
CID 82684700
N-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119791225
N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119893975
methyl 4-methoxy-2,4-dimethylpentanoate
CID 22982800
7-amino-N-(4-methoxy-4-methylpentan-2-yl)heptanamide;hydrochloride
CID 119803209
4-amino-N-(4-methoxy-4-methylpentan-2-yl)butanamide
CID 119334828
N-[1-(diethylamino)propan-2-yl]-2-methyl-3-(methylamino)propanamide
CID 79202231
methyl 2-[2,3-bis(methylamino)propanoylamino]-3-(methylamino)propanoate
CID 58669432

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119803241) is N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)NC(C)CC(C)(C)OC.Cl.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is DOQHBZDKCGQNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2.ClH/c1-9(8-13-5)11(15)14-10(2)7-12(3,4)16-6;/h9-10,13H,7-8H2,1-6H3,(H,14,15);1H.
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 266.81 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119803241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).