N-(3-acetamido-2-methylpropyl)acetamide

C8H16N2O2 — CID 20588188

IUPACN-(3-acetamido-2-methylpropyl)acetamide
SMILESCC(=O)NCC(C)CNC(C)=O
InChIInChI=1S/C8H16N2O2/c1-6(4-9-7(2)11)5-10-8(3)12/h6H,4-5H2,1-3H3,(H,9,11)(H,10,12)
InChIKeyXZMKVFBPEZQZOR-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.11
Rot. Bonds4

About N-(3-acetamido-2-methylpropyl)acetamide

N-(3-acetamido-2-methylpropyl)acetamide (PubChem CID 20588188) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-(3-acetamido-2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-2-methylpropyl)acetamide
PubChem CID20588188
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-(3-acetamido-2-methylpropyl)acetamide
SMILESCC(=O)NCC(C)CNC(C)=O
InChIInChI=1S/C8H16N2O2/c1-6(4-9-7(2)11)5-10-8(3)12/h6H,4-5H2,1-3H3,(H,9,11)(H,10,12)
InChIKeyXZMKVFBPEZQZOR-UHFFFAOYSA-N
XLogP-0.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-(2-methylpropyl)acetamide
CID 142232237
N-[2-methyl-5-(methylamino)pentyl]acetamide
CID 162925431
fluoromethane;N-[(2R)-2-methylhexyl]acetamide
CID 145149419
N-(4-cyano-2-methylbutyl)acetamide
CID 122547945
N-(2,3-dihydroxybutyl)acetamide
CID 91533638
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
2-methylpropan-1-amine;N-(2-methylpropyl)acetamide
CID 161466003
N-(2-methoxypropyl)acetamide
CID 90876780
N-[(2R)-2,3,3-trimethylbutyl]acetamide
CID 59118608
acetic acid;methane;bis(2-methylbutan-1-amine);N-(2-methylbutyl)acetamide
CID 167598192
N-(3-butoxy-2-methylpropyl)acetamide
CID 134356705
(2S)-3-acetamido-2-methyl-N-[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]propanamide
CID 101104048

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2-methylpropyl)acetamide?
The IUPAC name of N-(3-acetamido-2-methylpropyl)acetamide (CID 20588188) is N-(3-acetamido-2-methylpropyl)acetamide.
What is the SMILES notation for N-(3-acetamido-2-methylpropyl)acetamide?
The canonical SMILES for N-(3-acetamido-2-methylpropyl)acetamide is CC(=O)NCC(C)CNC(C)=O.
What is the InChIKey of N-(3-acetamido-2-methylpropyl)acetamide?
The InChIKey is XZMKVFBPEZQZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(4-9-7(2)11)5-10-8(3)12/h6H,4-5H2,1-3H3,(H,9,11)(H,10,12).
What are the key properties of N-(3-acetamido-2-methylpropyl)acetamide?
N-(3-acetamido-2-methylpropyl)acetamide has a molecular weight of 172.23 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-2-methylpropyl)acetamide is sourced from PubChem (CID 20588188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).