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

C8H17NO2 — CID 131204688

IUPACN-(1-hydroxy-2-methylpentan-2-yl)acetamide
SMILESCCCC(C)(CO)NC(C)=O
InChIInChI=1S/C8H17NO2/c1-4-5-8(3,6-10)9-7(2)11/h10H,4-6H2,1-3H3,(H,9,11)
InChIKeyAVHKCNSGXKBQID-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.67
Rot. Bonds4

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

N-(1-hydroxy-2-methylpentan-2-yl)acetamide (PubChem CID 131204688) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpentan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpentan-2-yl)acetamide
PubChem CID131204688
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-(1-hydroxy-2-methylpentan-2-yl)acetamide
SMILESCCCC(C)(CO)NC(C)=O
InChIInChI=1S/C8H17NO2/c1-4-5-8(3,6-10)9-7(2)11/h10H,4-6H2,1-3H3,(H,9,11)
InChIKeyAVHKCNSGXKBQID-UHFFFAOYSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methyl-2-(methylamino)pentan-1-ol
CID 93471033
[(2R)-1-hydroxy-2-methylheptan-2-yl]carbamic acid
CID 122585214
(1-hydroxy-2-methylheptan-2-yl)carbamic acid
CID 122585217
N-(2,4,4-trimethylheptan-2-yl)acetamide
CID 170293406
1-(4-bromophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754119
1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea
CID 111754129
N-[1-hydroxy-2-(hydroxymethyl)octan-2-yl]acetamide
CID 90225692
2-(carboxyamino)pentan-2-ylcarbamic acid
CID 174501880
1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754639
1-(2-tert-butylphenyl)-3-[(2R)-1-hydroxy-2-methylpentan-2-yl]urea
CID 95972895
3-hydroxy-N-(1-hydroxy-2-methylpentan-2-yl)pyridine-2-carboxamide
CID 86802049
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111926072

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpentan-2-yl)acetamide?
The IUPAC name of N-(1-hydroxy-2-methylpentan-2-yl)acetamide (CID 131204688) is N-(1-hydroxy-2-methylpentan-2-yl)acetamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpentan-2-yl)acetamide?
The canonical SMILES for N-(1-hydroxy-2-methylpentan-2-yl)acetamide is CCCC(C)(CO)NC(C)=O.
What is the InChIKey of N-(1-hydroxy-2-methylpentan-2-yl)acetamide?
The InChIKey is AVHKCNSGXKBQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-5-8(3,6-10)9-7(2)11/h10H,4-6H2,1-3H3,(H,9,11).
What are the key properties of N-(1-hydroxy-2-methylpentan-2-yl)acetamide?
N-(1-hydroxy-2-methylpentan-2-yl)acetamide has a molecular weight of 159.23 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpentan-2-yl)acetamide is sourced from PubChem (CID 131204688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).