N-acetyl-N-pentan-2-ylpropanamide

C10H19NO2 — CID 176989960

IUPACN-acetyl-N-pentan-2-ylpropanamide
SMILESCCCC(C)N(C(C)=O)C(=O)CC
InChIInChI=1S/C10H19NO2/c1-5-7-8(3)11(9(4)12)10(13)6-2/h8H,5-7H2,1-4H3
InChIKeyZJWBWVZVBKKPLR-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.96
Rot. Bonds4

About N-acetyl-N-pentan-2-ylpropanamide

N-acetyl-N-pentan-2-ylpropanamide (PubChem CID 176989960) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-acetyl-N-pentan-2-ylpropanamide.

Molecular Properties

Compound NameN-acetyl-N-pentan-2-ylpropanamide
PubChem CID176989960
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-acetyl-N-pentan-2-ylpropanamide
SMILESCCCC(C)N(C(C)=O)C(=O)CC
InChIInChI=1S/C10H19NO2/c1-5-7-8(3)11(9(4)12)10(13)6-2/h8H,5-7H2,1-4H3
InChIKeyZJWBWVZVBKKPLR-UHFFFAOYSA-N
XLogP1.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethanethioyl-N-propan-2-ylpropanamide
CID 175620978
N-acetyl-N-(1-aminopropan-2-yl)acetamide
CID 71330425
N-heptan-4-yl-N-pentan-2-ylbutanamide
CID 89281529
N,N-dihydroxypentan-2-amine
CID 87329779
N-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide
CID 159278816
N-pentan-2-yl-N-(4-propylpyrimidin-2-yl)propanamide
CID 142120097
(4R)-4-methylheptan-3-one
CID 12696684
CID 159174397
CID 159174397
N-acetyl-N-methylpropanamide;ethane
CID 143328121
N,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide
CID 28569844
N,N-diethylpentan-2-amine;2-methylprop-2-enoic acid
CID 161380270
(3R)-N,N,3-trimethylhexanamide
CID 170848594

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-pentan-2-ylpropanamide?
The IUPAC name of N-acetyl-N-pentan-2-ylpropanamide (CID 176989960) is N-acetyl-N-pentan-2-ylpropanamide.
What is the SMILES notation for N-acetyl-N-pentan-2-ylpropanamide?
The canonical SMILES for N-acetyl-N-pentan-2-ylpropanamide is CCCC(C)N(C(C)=O)C(=O)CC.
What is the InChIKey of N-acetyl-N-pentan-2-ylpropanamide?
The InChIKey is ZJWBWVZVBKKPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-7-8(3)11(9(4)12)10(13)6-2/h8H,5-7H2,1-4H3.
What are the key properties of N-acetyl-N-pentan-2-ylpropanamide?
N-acetyl-N-pentan-2-ylpropanamide has a molecular weight of 185.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-pentan-2-ylpropanamide is sourced from PubChem (CID 176989960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).