2,2-dimethyl-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane

C14H30N2O2 — CID 159495091

IUPAC2,2-dimethyl-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane
SMILESC.CNC(CCCCNC(=O)C(C)(C)C)C(C)=O
InChIInChI=1S/C13H26N2O2.CH4/c1-10(16)11(14-5)8-6-7-9-15-12(17)13(2,3)4;/h11,14H,6-9H2,1-5H3,(H,15,17);1H4
InChIKeyLYRIXZPFAKQIIU-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.13
Rot. Bonds7

About 2,2-dimethyl-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane

2,2-dimethyl-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane (PubChem CID 159495091) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane.

Molecular Properties

Compound Name2,2-dimethyl-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane
PubChem CID159495091
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2,2-dimethyl-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane
SMILESC.CNC(CCCCNC(=O)C(C)(C)C)C(C)=O
InChIInChI=1S/C13H26N2O2.CH4/c1-10(16)11(14-5)8-6-7-9-15-12(17)13(2,3)4;/h11,14H,6-9H2,1-5H3,(H,15,17);1H4
InChIKeyLYRIXZPFAKQIIU-UHFFFAOYSA-N
XLogP2.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.13
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

N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 72531046
(3R)-3,7-bis(methylamino)heptan-2-one
CID 91227284
N-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide
CID 170089451
7-(2,2-dimethylpropylamino)-3-(methylamino)heptan-2-one
CID 131998735
3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide
CID 170086271
2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 159874628
N-[6-(2,2-dimethylpropanoylamino)-5,6-dimethylheptyl]-2,2-dimethylpropanamide
CID 126680891
5-acetamido-2-amino-N-[5-(methylamino)-6-oxoheptyl]pentanamide
CID 126757813
3-[2-(3,3-dimethylbutoxy)ethoxy]-N-[(5S)-5-(methylamino)-6-oxoheptyl]propanamide
CID 171600339
3-(methylamino)nonan-2-one
CID 21024660
CID 171042672
CID 171042672
7-amino-3-(methylamino)heptan-2-one;ethane
CID 153401274

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane?
The IUPAC name of 2,2-dimethyl-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane (CID 159495091) is 2,2-dimethyl-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane.
What is the SMILES notation for 2,2-dimethyl-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane?
The canonical SMILES for 2,2-dimethyl-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane is C.CNC(CCCCNC(=O)C(C)(C)C)C(C)=O.
What is the InChIKey of 2,2-dimethyl-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane?
The InChIKey is LYRIXZPFAKQIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.CH4/c1-10(16)11(14-5)8-6-7-9-15-12(17)13(2,3)4;/h11,14H,6-9H2,1-5H3,(H,15,17);1H4.
What are the key properties of 2,2-dimethyl-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane?
2,2-dimethyl-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane has a molecular weight of 258.41 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane is sourced from PubChem (CID 159495091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).