N-ethyl-N-[2-oxo-2-(6-oxoheptylamino)ethyl]propanamide

C14H26N2O3 — CID 155427463

IUPACN-ethyl-N-[2-oxo-2-(6-oxoheptylamino)ethyl]propanamide
SMILESCCC(=O)N(CC)CC(=O)NCCCCCC(C)=O
InChIInChI=1S/C14H26N2O3/c1-4-14(19)16(5-2)11-13(18)15-10-8-6-7-9-12(3)17/h4-11H2,1-3H3,(H,15,18)
InChIKeyLXMDTCITXUDYQM-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.51
Rot. Bonds10

About N-ethyl-N-[2-oxo-2-(6-oxoheptylamino)ethyl]propanamide

N-ethyl-N-[2-oxo-2-(6-oxoheptylamino)ethyl]propanamide (PubChem CID 155427463) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-ethyl-N-[2-oxo-2-(6-oxoheptylamino)ethyl]propanamide.

Molecular Properties

Compound NameN-ethyl-N-[2-oxo-2-(6-oxoheptylamino)ethyl]propanamide
PubChem CID155427463
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-ethyl-N-[2-oxo-2-(6-oxoheptylamino)ethyl]propanamide
SMILESCCC(=O)N(CC)CC(=O)NCCCCCC(C)=O
InChIInChI=1S/C14H26N2O3/c1-4-14(19)16(5-2)11-13(18)15-10-8-6-7-9-12(3)17/h4-11H2,1-3H3,(H,15,18)
InChIKeyLXMDTCITXUDYQM-UHFFFAOYSA-N
XLogP1.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(12-oxotridecyl)propanamide
CID 171540592
N-methyl-2-[2-oxobutyl-[2-oxo-2-(6-oxoheptylamino)ethyl]amino]acetamide
CID 160754701
CID 168891726
CID 168891726
ethane;N-(6-oxoheptyl)butanamide
CID 143878068
N-(10-oxoundecyl)dodecanamide
CID 171771299
N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane
CID 145408136
N-butyl-7-oxooctanamide
CID 153419892
N-butyl-12-oxotridecanamide
CID 158110868
ethane;N-ethyl-N-(4-oxopentyl)propanamide
CID 143803136
N-[2-(dodecylamino)-2-oxoethyl]-N-(2-hydroxyethyl)dodecanamide
CID 59053098
N-(8-oxononyl)acetamide
CID 58114719
7-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]heptanamide
CID 54878536

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-oxo-2-(6-oxoheptylamino)ethyl]propanamide?
The IUPAC name of N-ethyl-N-[2-oxo-2-(6-oxoheptylamino)ethyl]propanamide (CID 155427463) is N-ethyl-N-[2-oxo-2-(6-oxoheptylamino)ethyl]propanamide.
What is the SMILES notation for N-ethyl-N-[2-oxo-2-(6-oxoheptylamino)ethyl]propanamide?
The canonical SMILES for N-ethyl-N-[2-oxo-2-(6-oxoheptylamino)ethyl]propanamide is CCC(=O)N(CC)CC(=O)NCCCCCC(C)=O.
What is the InChIKey of N-ethyl-N-[2-oxo-2-(6-oxoheptylamino)ethyl]propanamide?
The InChIKey is LXMDTCITXUDYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-14(19)16(5-2)11-13(18)15-10-8-6-7-9-12(3)17/h4-11H2,1-3H3,(H,15,18).
What are the key properties of N-ethyl-N-[2-oxo-2-(6-oxoheptylamino)ethyl]propanamide?
N-ethyl-N-[2-oxo-2-(6-oxoheptylamino)ethyl]propanamide has a molecular weight of 270.37 g/mol, XLogP of 1.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-oxo-2-(6-oxoheptylamino)ethyl]propanamide is sourced from PubChem (CID 155427463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).