N-(2-aminoacetyl)-N-octanoyloctanamide

C18H34N2O3 — CID 175927090

IUPACN-(2-aminoacetyl)-N-octanoyloctanamide
SMILESCCCCCCCC(=O)N(C(=O)CN)C(=O)CCCCCCC
InChIInChI=1S/C18H34N2O3/c1-3-5-7-9-11-13-16(21)20(18(23)15-19)17(22)14-12-10-8-6-4-2/h3-15,19H2,1-2H3
InChIKeyJCXCJGOCDKQBOG-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.55
Rot. Bonds13

About N-(2-aminoacetyl)-N-octanoyloctanamide

N-(2-aminoacetyl)-N-octanoyloctanamide (PubChem CID 175927090) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is N-(2-aminoacetyl)-N-octanoyloctanamide.

Molecular Properties

Compound NameN-(2-aminoacetyl)-N-octanoyloctanamide
PubChem CID175927090
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC NameN-(2-aminoacetyl)-N-octanoyloctanamide
SMILESCCCCCCCC(=O)N(C(=O)CN)C(=O)CCCCCCC
InChIInChI=1S/C18H34N2O3/c1-3-5-7-9-11-13-16(21)20(18(23)15-19)17(22)14-12-10-8-6-4-2/h3-15,19H2,1-2H3
InChIKeyJCXCJGOCDKQBOG-UHFFFAOYSA-N
XLogP3.55
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-hydroxyacetyl)tetradecanamide
CID 141047117
N-(2-chloroacetyl)-N-icosanoylicosanamide
CID 162712848
(Z)-N,N-di(tetradecanoyl)octadec-9-enamide
CID 175402772
N-amino-N-hydroxydocosanamide
CID 87686885
N,N-diethyloctadecanamide;propan-1-amine;hydrobromide
CID 174816877
N-decanoyl-N-methyldecanamide
CID 141076390
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160
10-[di(octadec-9-enoyl)amino]-10-oxodecanoic acid
CID 154082750
N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide
CID 88723391

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoacetyl)-N-octanoyloctanamide?
The IUPAC name of N-(2-aminoacetyl)-N-octanoyloctanamide (CID 175927090) is N-(2-aminoacetyl)-N-octanoyloctanamide.
What is the SMILES notation for N-(2-aminoacetyl)-N-octanoyloctanamide?
The canonical SMILES for N-(2-aminoacetyl)-N-octanoyloctanamide is CCCCCCCC(=O)N(C(=O)CN)C(=O)CCCCCCC.
What is the InChIKey of N-(2-aminoacetyl)-N-octanoyloctanamide?
The InChIKey is JCXCJGOCDKQBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-3-5-7-9-11-13-16(21)20(18(23)15-19)17(22)14-12-10-8-6-4-2/h3-15,19H2,1-2H3.
What are the key properties of N-(2-aminoacetyl)-N-octanoyloctanamide?
N-(2-aminoacetyl)-N-octanoyloctanamide has a molecular weight of 326.48 g/mol, XLogP of 3.55, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoacetyl)-N-octanoyloctanamide is sourced from PubChem (CID 175927090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).