N-(4-methyl-3-oxopentyl)acetamide;molecular hydrogen

C8H17NO2 — CID 144886744

IUPACN-(4-methyl-3-oxopentyl)acetamide;molecular hydrogen
SMILESCC(=O)NCCC(=O)C(C)C.[H][H]
InChIInChI=1S/C8H15NO2.H2/c1-6(2)8(11)4-5-9-7(3)10;/h6H,4-5H2,1-3H3,(H,9,10);1H
InChIKeyAEXGTYYVZSSDSY-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.98
Rot. Bonds4

About N-(4-methyl-3-oxopentyl)acetamide;molecular hydrogen

N-(4-methyl-3-oxopentyl)acetamide;molecular hydrogen (PubChem CID 144886744) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-(4-methyl-3-oxopentyl)acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-(4-methyl-3-oxopentyl)acetamide;molecular hydrogen
PubChem CID144886744
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-(4-methyl-3-oxopentyl)acetamide;molecular hydrogen
SMILESCC(=O)NCCC(=O)C(C)C.[H][H]
InChIInChI=1S/C8H15NO2.H2/c1-6(2)8(11)4-5-9-7(3)10;/h6H,4-5H2,1-3H3,(H,9,10);1H
InChIKeyAEXGTYYVZSSDSY-UHFFFAOYSA-N
XLogP0.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methyl-3-oxopentyl)acetamide
CID 20600831
(4-methyl-3-oxopentyl)carbamodithioic acid
CID 163434682
3-methyl-N-(4-methyl-3-oxopentyl)butanamide
CID 153392843
2-methyl-1-(4-methyl-3-oxopentyl)guanidine
CID 58774105
3-acetamidopropanoyloxidanium
CID 154009858
7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen
CID 145408102
N-(5-iodo-4-oxohexyl)acetamide
CID 171526467
(6-methyl-5-oxoheptyl)carbamothioic S-acid
CID 138728799
13-methyl-12-oxo-N-(2-oxopropyl)tetradecanamide;molecular hydrogen
CID 169209715
3-[3-acetamidopropanoyl(propan-2-yl)amino]propanoic acid
CID 60832281
ethane;N-(6-methylheptyl)acetamide;molecular hydrogen
CID 145404699
N-butylacetamide;molecular hydrogen
CID 142252069

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-oxopentyl)acetamide;molecular hydrogen?
The IUPAC name of N-(4-methyl-3-oxopentyl)acetamide;molecular hydrogen (CID 144886744) is N-(4-methyl-3-oxopentyl)acetamide;molecular hydrogen.
What is the SMILES notation for N-(4-methyl-3-oxopentyl)acetamide;molecular hydrogen?
The canonical SMILES for N-(4-methyl-3-oxopentyl)acetamide;molecular hydrogen is CC(=O)NCCC(=O)C(C)C.[H][H].
What is the InChIKey of N-(4-methyl-3-oxopentyl)acetamide;molecular hydrogen?
The InChIKey is AEXGTYYVZSSDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.H2/c1-6(2)8(11)4-5-9-7(3)10;/h6H,4-5H2,1-3H3,(H,9,10);1H.
What are the key properties of N-(4-methyl-3-oxopentyl)acetamide;molecular hydrogen?
N-(4-methyl-3-oxopentyl)acetamide;molecular hydrogen has a molecular weight of 159.23 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-oxopentyl)acetamide;molecular hydrogen is sourced from PubChem (CID 144886744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).