N-[2-[2-(methylamino)ethylamino]ethyl]-6-oxoheptanamide

C12H25N3O2 — CID 59766021

IUPACN-[2-[2-(methylamino)ethylamino]ethyl]-6-oxoheptanamide
SMILESCNCCNCCNC(=O)CCCCC(C)=O
InChIInChI=1S/C12H25N3O2/c1-11(16)5-3-4-6-12(17)15-10-9-14-8-7-13-2/h13-14H,3-10H2,1-2H3,(H,15,17)
InChIKeyWCIVJZWMWREUPR-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.06
Rot. Bonds11

About N-[2-[2-(methylamino)ethylamino]ethyl]-6-oxoheptanamide

N-[2-[2-(methylamino)ethylamino]ethyl]-6-oxoheptanamide (PubChem CID 59766021) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[2-[2-(methylamino)ethylamino]ethyl]-6-oxoheptanamide.

Molecular Properties

Compound NameN-[2-[2-(methylamino)ethylamino]ethyl]-6-oxoheptanamide
PubChem CID59766021
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-[2-[2-(methylamino)ethylamino]ethyl]-6-oxoheptanamide
SMILESCNCCNCCNC(=O)CCCCC(C)=O
InChIInChI=1S/C12H25N3O2/c1-11(16)5-3-4-6-12(17)15-10-9-14-8-7-13-2/h13-14H,3-10H2,1-2H3,(H,15,17)
InChIKeyWCIVJZWMWREUPR-UHFFFAOYSA-N
XLogP0.06
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-oxo-N-[2-[2-(6-oxoheptanoylamino)ethylamino]ethyl]heptanamide
CID 20656550
ethane;N-[2-(methylamino)ethyl]-4-oxopentanamide
CID 145117047
ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide
CID 177339122
N-[2-[2-(hexanoylamino)ethylamino]ethyl]hexanamide
CID 101386033
3-(methylamino)-N-[2-(methylamino)ethyl]propanamide
CID 59688102
methanol;18-oxo-N-(8-oxononyl)octadecanamide
CID 144779859
12-oxo-N-propyltridecanamide
CID 135223938
13-(methylamino)tridecan-2-one
CID 23382037
N-butyl-7-oxooctanamide
CID 153419892
N-butyl-12-oxotridecanamide
CID 158110868
6-(methylamino)-N-(6-oxohexyl)hexanamide
CID 134554361
N-(10-oxoundecyl)dodecanamide
CID 171771299

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylamino)ethylamino]ethyl]-6-oxoheptanamide?
The IUPAC name of N-[2-[2-(methylamino)ethylamino]ethyl]-6-oxoheptanamide (CID 59766021) is N-[2-[2-(methylamino)ethylamino]ethyl]-6-oxoheptanamide.
What is the SMILES notation for N-[2-[2-(methylamino)ethylamino]ethyl]-6-oxoheptanamide?
The canonical SMILES for N-[2-[2-(methylamino)ethylamino]ethyl]-6-oxoheptanamide is CNCCNCCNC(=O)CCCCC(C)=O.
What is the InChIKey of N-[2-[2-(methylamino)ethylamino]ethyl]-6-oxoheptanamide?
The InChIKey is WCIVJZWMWREUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-11(16)5-3-4-6-12(17)15-10-9-14-8-7-13-2/h13-14H,3-10H2,1-2H3,(H,15,17).
What are the key properties of N-[2-[2-(methylamino)ethylamino]ethyl]-6-oxoheptanamide?
N-[2-[2-(methylamino)ethylamino]ethyl]-6-oxoheptanamide has a molecular weight of 243.35 g/mol, XLogP of 0.06, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylamino)ethylamino]ethyl]-6-oxoheptanamide is sourced from PubChem (CID 59766021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).