N-[1-(3-aminobutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride

C12H26ClN3O2 — CID 119498705

IUPACN-[1-(3-aminobutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(N)CCNC(=O)C(C)NC(=O)C(C)(C)C.Cl
InChIInChI=1S/C12H25N3O2.ClH/c1-8(13)6-7-14-10(16)9(2)15-11(17)12(3,4)5;/h8-9H,6-7,13H2,1-5H3,(H,14,16)(H,15,17);1H
InChIKeyZIBLQKAJGGTPMH-UHFFFAOYSA-N
MW279.81 g/mol
LogP0.81
Rot. Bonds5

About N-[1-(3-aminobutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride

N-[1-(3-aminobutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride (PubChem CID 119498705) has the molecular formula C12H26ClN3O2 and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[1-(3-aminobutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-aminobutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
PubChem CID119498705
Molecular FormulaC12H26ClN3O2
Molecular Weight279.81 g/mol
Exact Mass279.17
IUPAC NameN-[1-(3-aminobutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(N)CCNC(=O)C(C)NC(=O)C(C)(C)C.Cl
InChIInChI=1S/C12H25N3O2.ClH/c1-8(13)6-7-14-10(16)9(2)15-11(17)12(3,4)5;/h8-9H,6-7,13H2,1-5H3,(H,14,16)(H,15,17);1H
InChIKeyZIBLQKAJGGTPMH-UHFFFAOYSA-N
XLogP0.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-hydroxybutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 106843633
N-[1-(5-hydroxypentylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 107319030
2,2-dimethyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide
CID 43054474
N-(3-aminobutyl)-2,2-dimethylbutanamide
CID 63253929
3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2-dimethylpropanoic acid
CID 81369309
N-[1-[(2-hydroxy-2,3-dimethylbutyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 111484536
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319
N-[1-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 109380616
2,2-dimethyl-N-[1-[(2-methylpropan-2-yl)oxyamino]-1-oxopropan-2-yl]propanamide
CID 82724608
N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 119660529
benzyl 2-[[(2R)-2-(2,2-dimethylpropanoylamino)propanoyl]amino]acetate
CID 30396801
N-(3-aminobutyl)-2-[(2-cyclohexylacetyl)amino]propanamide
CID 119499014

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminobutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of N-[1-(3-aminobutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride (CID 119498705) is N-[1-(3-aminobutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for N-[1-(3-aminobutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for N-[1-(3-aminobutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride is CC(N)CCNC(=O)C(C)NC(=O)C(C)(C)C.Cl.
What is the InChIKey of N-[1-(3-aminobutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is ZIBLQKAJGGTPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2.ClH/c1-8(13)6-7-14-10(16)9(2)15-11(17)12(3,4)5;/h8-9H,6-7,13H2,1-5H3,(H,14,16)(H,15,17);1H.
What are the key properties of N-[1-(3-aminobutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride?
N-[1-(3-aminobutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminobutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119498705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).