N-(1-hydroxy-3-methylpentan-3-yl)-2-(propylamino)acetamide

C11H24N2O2 — CID 106176447

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)NC(C)(CC)CCO
InChIInChI=1S/C11H24N2O2/c1-4-7-12-9-10(15)13-11(3,5-2)6-8-14/h12,14H,4-9H2,1-3H3,(H,13,15)
InChIKeyKAQXIXSNCVKSJB-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.65
Rot. Bonds8

About N-(1-hydroxy-3-methylpentan-3-yl)-2-(propylamino)acetamide

N-(1-hydroxy-3-methylpentan-3-yl)-2-(propylamino)acetamide (PubChem CID 106176447) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-2-(propylamino)acetamide
PubChem CID106176447
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)NC(C)(CC)CCO
InChIInChI=1S/C11H24N2O2/c1-4-7-12-9-10(15)13-11(3,5-2)6-8-14/h12,14H,4-9H2,1-3H3,(H,13,15)
InChIKeyKAQXIXSNCVKSJB-UHFFFAOYSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.65
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-hydroxy-3-methylpentan-3-yl)propanamide
CID 103946136
2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945988
N-(1-hydroxy-3-methylpentan-3-yl)-3,4,4-trimethylpentanamide
CID 103945842
3-amino-N-(1-hydroxy-3-methylpentan-3-yl)pentanamide
CID 106176293
2-(2-hydroxyethylamino)-N-(2-methylbutan-2-yl)acetamide
CID 60671300
2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 104920642
N-(1-hydroxy-3-methylpentan-3-yl)-2,2-dimethylbutanamide
CID 106166843
1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea
CID 103819942
4-amino-N-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-oxoethyl]benzamide
CID 106176497
N-tert-butyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetamide
CID 106146940
N-(1-hydroxy-3-methylpentan-3-yl)-3-imidazol-1-ylhexanamide
CID 106166604
2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945789

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2-(propylamino)acetamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2-(propylamino)acetamide (CID 106176447) is N-(1-hydroxy-3-methylpentan-3-yl)-2-(propylamino)acetamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-2-(propylamino)acetamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-2-(propylamino)acetamide is CCCNCC(=O)NC(C)(CC)CCO.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-2-(propylamino)acetamide?
The InChIKey is KAQXIXSNCVKSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-4-7-12-9-10(15)13-11(3,5-2)6-8-14/h12,14H,4-9H2,1-3H3,(H,13,15).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-2-(propylamino)acetamide?
N-(1-hydroxy-3-methylpentan-3-yl)-2-(propylamino)acetamide has a molecular weight of 216.32 g/mol, XLogP of 0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-2-(propylamino)acetamide is sourced from PubChem (CID 106176447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).