(2S)-2-acetamido-N-(2-ethylhexyl)propanamide

C13H26N2O2 — CID 156690182

IUPAC(2S)-2-acetamido-N-(2-ethylhexyl)propanamide
SMILESCCCCC(CC)CNC(=O)[C@H](C)NC(C)=O
InChIInChI=1S/C13H26N2O2/c1-5-7-8-12(6-2)9-14-13(17)10(3)15-11(4)16/h10,12H,5-9H2,1-4H3,(H,14,17)(H,15,16)/t10-,12?/m0/s1
InChIKeyBEIWYUNFYHGZPW-NUHJPDEHSA-N
MW242.36 g/mol
LogP1.84
Rot. Bonds8

About (2S)-2-acetamido-N-(2-ethylhexyl)propanamide

(2S)-2-acetamido-N-(2-ethylhexyl)propanamide (PubChem CID 156690182) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2S)-2-acetamido-N-(2-ethylhexyl)propanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-(2-ethylhexyl)propanamide
PubChem CID156690182
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2S)-2-acetamido-N-(2-ethylhexyl)propanamide
SMILESCCCCC(CC)CNC(=O)[C@H](C)NC(C)=O
InChIInChI=1S/C13H26N2O2/c1-5-7-8-12(6-2)9-14-13(17)10(3)15-11(4)16/h10,12H,5-9H2,1-4H3,(H,14,17)(H,15,16)/t10-,12?/m0/s1
InChIKeyBEIWYUNFYHGZPW-NUHJPDEHSA-N
XLogP1.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-acetamido-N-[(2S)-1-(2-ethylhexylamino)-1-oxopropan-2-yl]propanamide
CID 142590934
(2S)-2-acetamido-N-(2-hexyldecyl)propanamide
CID 156690178
2-bromo-N-(2-ethylhexyl)propanamide
CID 82109337
N-(2-ethylhexyl)acetamide;fluoromethane
CID 145149425
1-(2-ethylhexyl)-3-propan-2-ylurea
CID 78858171
2-bromo-N-(2-ethylhexyl)butanamide
CID 62854370
calcium;N-(2-ethylhexyl)-3-oxobutanamide;hydride
CID 173102099
2-acetamido-N-(2-hydroxypropyl)propanamide
CID 43392742
2-(2-acetamidopropanoylamino)hexanoic acid
CID 43469646
N-[2-(2-ethylhexylamino)ethyl]acetamide
CID 60683101
3-(2-ethylhexylcarbamoylamino)-2-methylpropanoic acid
CID 107817398
1-[(2R)-2-ethylhexyl]-3-prop-2-ynylurea
CID 97027505

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-(2-ethylhexyl)propanamide?
The IUPAC name of (2S)-2-acetamido-N-(2-ethylhexyl)propanamide (CID 156690182) is (2S)-2-acetamido-N-(2-ethylhexyl)propanamide.
What is the SMILES notation for (2S)-2-acetamido-N-(2-ethylhexyl)propanamide?
The canonical SMILES for (2S)-2-acetamido-N-(2-ethylhexyl)propanamide is CCCCC(CC)CNC(=O)[C@H](C)NC(C)=O.
What is the InChIKey of (2S)-2-acetamido-N-(2-ethylhexyl)propanamide?
The InChIKey is BEIWYUNFYHGZPW-NUHJPDEHSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-7-8-12(6-2)9-14-13(17)10(3)15-11(4)16/h10,12H,5-9H2,1-4H3,(H,14,17)(H,15,16)/t10-,12?/m0/s1.
What are the key properties of (2S)-2-acetamido-N-(2-ethylhexyl)propanamide?
(2S)-2-acetamido-N-(2-ethylhexyl)propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-(2-ethylhexyl)propanamide is sourced from PubChem (CID 156690182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).