N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]octanamide

C13H26N2O2 — CID 162387449

IUPACN-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]octanamide
SMILESCCCCCCCC(=O)N[C@@H](C)C(=O)NCC
InChIInChI=1S/C13H26N2O2/c1-4-6-7-8-9-10-12(16)15-11(3)13(17)14-5-2/h11H,4-10H2,1-3H3,(H,14,17)(H,15,16)/t11-/m0/s1
InChIKeyUXBWWMYURJIMAB-NSHDSACASA-N
MW242.36 g/mol
LogP1.99
Rot. Bonds9

About N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]octanamide

N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]octanamide (PubChem CID 162387449) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]octanamide.

Molecular Properties

Compound NameN-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]octanamide
PubChem CID162387449
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]octanamide
SMILESCCCCCCCC(=O)N[C@@H](C)C(=O)NCC
InChIInChI=1S/C13H26N2O2/c1-4-6-7-8-9-10-12(16)15-11(3)13(17)14-5-2/h11H,4-10H2,1-3H3,(H,14,17)(H,15,16)/t11-/m0/s1
InChIKeyUXBWWMYURJIMAB-NSHDSACASA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide
CID 43579253
sodium (2S)-2-(heptadecanoylamino)propanoate
CID 141395192
(2S)-2-(heptanoylamino)propanoic acid
CID 59127847
N-[(2S)-3-oxododecan-2-yl]nonanamide
CID 160686948
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(propan-2-ylamino)butanamide
CID 60850068
methyl 2-[[2-[2-(decanoylamino)propanoylamino]acetyl]amino]acetate
CID 607811
2-(dodecanoylamino)propanoyl chloride
CID 146268547
2-(hexanoylamino)propanoic acid
CID 2828500
N-ethyltridecanamide
CID 23297417
N-ethylhexadecanamide
CID 18377756
5-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]pentanamide
CID 107908685
N-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide
CID 65449719

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]octanamide?
The IUPAC name of N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]octanamide (CID 162387449) is N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]octanamide.
What is the SMILES notation for N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]octanamide?
The canonical SMILES for N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]octanamide is CCCCCCCC(=O)N[C@@H](C)C(=O)NCC.
What is the InChIKey of N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]octanamide?
The InChIKey is UXBWWMYURJIMAB-NSHDSACASA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-6-7-8-9-10-12(16)15-11(3)13(17)14-5-2/h11H,4-10H2,1-3H3,(H,14,17)(H,15,16)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]octanamide?
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]octanamide has a molecular weight of 242.36 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]octanamide is sourced from PubChem (CID 162387449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).