N-(1-acetamido-2-methylpropyl)acetamide

C8H16N2O2 — CID 14691990

IUPACN-(1-acetamido-2-methylpropyl)acetamide
SMILESCC(=O)NC(NC(C)=O)C(C)C
InChIInChI=1S/C8H16N2O2/c1-5(2)8(9-6(3)11)10-7(4)12/h5,8H,1-4H3,(H,9,11)(H,10,12)
InChIKeyGAUVRKHVCLNMPJ-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.24
Rot. Bonds3

About N-(1-acetamido-2-methylpropyl)acetamide

N-(1-acetamido-2-methylpropyl)acetamide (PubChem CID 14691990) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-(1-acetamido-2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-(1-acetamido-2-methylpropyl)acetamide
PubChem CID14691990
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-(1-acetamido-2-methylpropyl)acetamide
SMILESCC(=O)NC(NC(C)=O)C(C)C
InChIInChI=1S/C8H16N2O2/c1-5(2)8(9-6(3)11)10-7(4)12/h5,8H,1-4H3,(H,9,11)(H,10,12)
InChIKeyGAUVRKHVCLNMPJ-UHFFFAOYSA-N
XLogP0.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1-fluoroethyl)acetamide
CID 123354067
[1-(carbamoylamino)-2-methylpropyl]urea
CID 22478
N-[(2S,3S,4S)-1-acetamido-2,3,4-trihydroxypentyl]acetamide
CID 131852383
3-acetamido-4-methylpentanoic acid
CID 22460001
N-(3-methyl-1-sulfanylbutan-2-yl)acetamide
CID 130023779
N-[(3S)-2-methyl-4-oxohexan-3-yl]acetamide
CID 89131708
N-(4-hydroxybutan-2-yl)acetamide
CID 20609978
N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053654
N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide
CID 167034901
N-(4-bromobutan-2-yl)acetamide
CID 83179388
N-[1-(dimethylamino)-2-methylpropyl]acetamide
CID 130005288
N-[(2R)-1-(methylamino)propan-2-yl]acetamide
CID 88935703

Frequently Asked Questions

What is the IUPAC name of N-(1-acetamido-2-methylpropyl)acetamide?
The IUPAC name of N-(1-acetamido-2-methylpropyl)acetamide (CID 14691990) is N-(1-acetamido-2-methylpropyl)acetamide.
What is the SMILES notation for N-(1-acetamido-2-methylpropyl)acetamide?
The canonical SMILES for N-(1-acetamido-2-methylpropyl)acetamide is CC(=O)NC(NC(C)=O)C(C)C.
What is the InChIKey of N-(1-acetamido-2-methylpropyl)acetamide?
The InChIKey is GAUVRKHVCLNMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-5(2)8(9-6(3)11)10-7(4)12/h5,8H,1-4H3,(H,9,11)(H,10,12).
What are the key properties of N-(1-acetamido-2-methylpropyl)acetamide?
N-(1-acetamido-2-methylpropyl)acetamide has a molecular weight of 172.23 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetamido-2-methylpropyl)acetamide is sourced from PubChem (CID 14691990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).