ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide

C14H30N2O2 — CID 177339122

IUPACethane;4-(methylamino)-N-(6-oxoheptyl)butanamide
SMILESCC.CNCCCC(=O)NCCCCCC(C)=O
InChIInChI=1S/C12H24N2O2.C2H6/c1-11(15)7-4-3-5-10-14-12(16)8-6-9-13-2;1-2/h13H,3-10H2,1-2H3,(H,14,16);1-2H3
InChIKeyKULBVCBUHJMRLM-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.28
Rot. Bonds10

About ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide

ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide (PubChem CID 177339122) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide.

Molecular Properties

Compound Nameethane;4-(methylamino)-N-(6-oxoheptyl)butanamide
PubChem CID177339122
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Nameethane;4-(methylamino)-N-(6-oxoheptyl)butanamide
SMILESCC.CNCCCC(=O)NCCCCCC(C)=O
InChIInChI=1S/C12H24N2O2.C2H6/c1-11(15)7-4-3-5-10-14-12(16)8-6-9-13-2;1-2/h13H,3-10H2,1-2H3,(H,14,16);1-2H3
InChIKeyKULBVCBUHJMRLM-UHFFFAOYSA-N
XLogP2.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;7-(methylamino)heptan-2-one
CID 176694896
N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane
CID 145408136
13-(methylamino)tridecan-2-one
CID 23382037
7-[4-(methylamino)butanoylamino]heptanoic acid
CID 61158719
ethane;10-(methylamino)decan-2-one;molecular hydrogen
CID 164864463
ethane;N-(6-oxoheptyl)butanamide
CID 143878068
N-(10-oxoundecyl)dodecanamide
CID 171771299
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
N-[2-[2-(methylamino)ethylamino]ethyl]-6-oxoheptanamide
CID 59766021
N-butyl-12-oxotridecanamide
CID 158110868
N-butyl-7-oxooctanamide
CID 153419892
methane;12-(methylamino)dodecan-2-one;propane
CID 158218512

Frequently Asked Questions

What is the IUPAC name of ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide?
The IUPAC name of ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide (CID 177339122) is ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide.
What is the SMILES notation for ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide?
The canonical SMILES for ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide is CC.CNCCCC(=O)NCCCCCC(C)=O.
What is the InChIKey of ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide?
The InChIKey is KULBVCBUHJMRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.C2H6/c1-11(15)7-4-3-5-10-14-12(16)8-6-9-13-2;1-2/h13H,3-10H2,1-2H3,(H,14,16);1-2H3.
What are the key properties of ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide?
ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide has a molecular weight of 258.41 g/mol, XLogP of 2.28, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide is sourced from PubChem (CID 177339122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).