N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride

C12H26ClN3O2 — CID 119583326

IUPACN-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CNC(=O)CC(C)(C)C.Cl
InChIInChI=1S/C12H25N3O2.ClH/c1-9(7-13)15(5)11(17)8-14-10(16)6-12(2,3)4;/h9H,6-8,13H2,1-5H3,(H,14,16);1H
InChIKeyWMBKBWSFJXWBTM-UHFFFAOYSA-N
MW279.81 g/mol
LogP0.77
Rot. Bonds5

About N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride

N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride (PubChem CID 119583326) has the molecular formula C12H26ClN3O2 and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride
PubChem CID119583326
Molecular FormulaC12H26ClN3O2
Molecular Weight279.81 g/mol
Exact Mass279.17
IUPAC NameN-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CNC(=O)CC(C)(C)C.Cl
InChIInChI=1S/C12H25N3O2.ClH/c1-9(7-13)15(5)11(17)8-14-10(16)6-12(2,3)4;/h9H,6-8,13H2,1-5H3,(H,14,16);1H
InChIKeyWMBKBWSFJXWBTM-UHFFFAOYSA-N
XLogP0.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 119583327
N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119582150
N-(1-aminopropan-2-yl)-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride
CID 119583859
2-amino-N-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]acetamide
CID 60847744
N'-(1-aminopropan-2-yl)-N'-methyl-N-propylbutanediamide;hydrochloride
CID 119584250
N-(1-aminopropan-2-yl)-N,3,4,4-tetramethylpentanamide
CID 115737332
N'-(1-aminopropan-2-yl)-N'-methyl-N-propylbutanediamide
CID 119584251
3,3-dimethyl-N-(2-oxobutyl)butanamide
CID 149102417
N-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 110902978
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 119666894
3-[[2-(3,3-dimethylbutanoylamino)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190598
4-N-(1-aminopropan-2-yl)-1-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide;hydrochloride
CID 119584228

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride (CID 119583326) is N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride is CC(CN)N(C)C(=O)CNC(=O)CC(C)(C)C.Cl.
What is the InChIKey of N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is WMBKBWSFJXWBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2.ClH/c1-9(7-13)15(5)11(17)8-14-10(16)6-12(2,3)4;/h9H,6-8,13H2,1-5H3,(H,14,16);1H.
What are the key properties of N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride?
N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119583326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).