N-[1-(5-hydroxypentylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide

C13H26N2O3 — CID 107319030

IUPACN-[1-(5-hydroxypentylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)NCCCCCO
InChIInChI=1S/C13H26N2O3/c1-10(15-12(18)13(2,3)4)11(17)14-8-6-5-7-9-16/h10,16H,5-9H2,1-4H3,(H,14,17)(H,15,18)
InChIKeyLVXMVMDNOJAROA-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.82
Rot. Bonds7

About N-[1-(5-hydroxypentylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide

N-[1-(5-hydroxypentylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 107319030) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[1-(5-hydroxypentylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(5-hydroxypentylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
PubChem CID107319030
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-[1-(5-hydroxypentylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)NCCCCCO
InChIInChI=1S/C13H26N2O3/c1-10(15-12(18)13(2,3)4)11(17)14-8-6-5-7-9-16/h10,16H,5-9H2,1-4H3,(H,14,17)(H,15,18)
InChIKeyLVXMVMDNOJAROA-UHFFFAOYSA-N
XLogP0.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-hydroxybutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 106843633
N-[1-(3-aminobutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 119498705
2,2-dimethyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide
CID 43054474
N-[2-(6-hydroxyhexylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 103919391
tert-butyl N-[(2S)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]carbamate
CID 87458449
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
ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide
CID 144592534
3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide
CID 107842431
N-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide
CID 106842052
N-[1-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 109380616
(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-hydroxypentylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(5-hydroxypentylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide (CID 107319030) is N-[1-(5-hydroxypentylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(5-hydroxypentylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(5-hydroxypentylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide is CC(NC(=O)C(C)(C)C)C(=O)NCCCCCO.
What is the InChIKey of N-[1-(5-hydroxypentylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is LVXMVMDNOJAROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(15-12(18)13(2,3)4)11(17)14-8-6-5-7-9-16/h10,16H,5-9H2,1-4H3,(H,14,17)(H,15,18).
What are the key properties of N-[1-(5-hydroxypentylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
N-[1-(5-hydroxypentylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 258.36 g/mol, XLogP of 0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-hydroxypentylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 107319030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).