N-(4-acetamidobutyl)-2-(hydroxymethyl)-2-methylbutanamide

C12H24N2O3 — CID 138744699

IUPACN-(4-acetamidobutyl)-2-(hydroxymethyl)-2-methylbutanamide
SMILESCCC(C)(CO)C(=O)NCCCCNC(C)=O
InChIInChI=1S/C12H24N2O3/c1-4-12(3,9-15)11(17)14-8-6-5-7-13-10(2)16/h15H,4-9H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyIYCWOMKCUCGCAZ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.43
Rot. Bonds8

About N-(4-acetamidobutyl)-2-(hydroxymethyl)-2-methylbutanamide

N-(4-acetamidobutyl)-2-(hydroxymethyl)-2-methylbutanamide (PubChem CID 138744699) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-(4-acetamidobutyl)-2-(hydroxymethyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(4-acetamidobutyl)-2-(hydroxymethyl)-2-methylbutanamide
PubChem CID138744699
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-(4-acetamidobutyl)-2-(hydroxymethyl)-2-methylbutanamide
SMILESCCC(C)(CO)C(=O)NCCCCNC(C)=O
InChIInChI=1S/C12H24N2O3/c1-4-12(3,9-15)11(17)14-8-6-5-7-13-10(2)16/h15H,4-9H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyIYCWOMKCUCGCAZ-UHFFFAOYSA-N
XLogP0.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.43
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-(3-aminopropyl)-2-ethyl-2-methylbutanamide
CID 88552246
3-hydroxy-2,2-dimethyl-N-pentylpropanamide
CID 171795881
N-(2-acetamidoethyl)-2-butyl-2-methyloctanamide
CID 166929446
N-[4-(tert-butylamino)butyl]acetamide
CID 139573721
N-(3-acetamidopropyl)acetamide
CID 5147555
N-nonadecylacetamide
CID 54574805
N-pentadecylacetamide
CID 12009452
N-hexylacetamide
CID 24129
N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide
CID 144980902
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
2,2-dimethylbutane;N-(5,5-dimethylhexyl)acetamide;3,3-dimethyl-1-methylsulfanylbutane
CID 167547878
N-(6-methyl-6-propylnonyl)acetamide
CID 138647362

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidobutyl)-2-(hydroxymethyl)-2-methylbutanamide?
The IUPAC name of N-(4-acetamidobutyl)-2-(hydroxymethyl)-2-methylbutanamide (CID 138744699) is N-(4-acetamidobutyl)-2-(hydroxymethyl)-2-methylbutanamide.
What is the SMILES notation for N-(4-acetamidobutyl)-2-(hydroxymethyl)-2-methylbutanamide?
The canonical SMILES for N-(4-acetamidobutyl)-2-(hydroxymethyl)-2-methylbutanamide is CCC(C)(CO)C(=O)NCCCCNC(C)=O.
What is the InChIKey of N-(4-acetamidobutyl)-2-(hydroxymethyl)-2-methylbutanamide?
The InChIKey is IYCWOMKCUCGCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-12(3,9-15)11(17)14-8-6-5-7-13-10(2)16/h15H,4-9H2,1-3H3,(H,13,16)(H,14,17).
What are the key properties of N-(4-acetamidobutyl)-2-(hydroxymethyl)-2-methylbutanamide?
N-(4-acetamidobutyl)-2-(hydroxymethyl)-2-methylbutanamide has a molecular weight of 244.33 g/mol, XLogP of 0.43, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidobutyl)-2-(hydroxymethyl)-2-methylbutanamide is sourced from PubChem (CID 138744699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).