ethane;N-methyl-7-morpholin-4-ylheptanamide

C16H36N2O2 — CID 176680362

IUPACethane;N-methyl-7-morpholin-4-ylheptanamide
SMILESCC.CC.CNC(=O)CCCCCCN1CCOCC1
InChIInChI=1S/C12H24N2O2.2C2H6/c1-13-12(15)6-4-2-3-5-7-14-8-10-16-11-9-14;2*1-2/h2-11H2,1H3,(H,13,15);2*1-2H3
InChIKeyPXLKFICHTUHBRZ-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.07
Rot. Bonds7

About ethane;N-methyl-7-morpholin-4-ylheptanamide

ethane;N-methyl-7-morpholin-4-ylheptanamide (PubChem CID 176680362) has the molecular formula C16H36N2O2 and a molecular weight of 288.48 g/mol. Its IUPAC name is ethane;N-methyl-7-morpholin-4-ylheptanamide.

Molecular Properties

Compound Nameethane;N-methyl-7-morpholin-4-ylheptanamide
PubChem CID176680362
Molecular FormulaC16H36N2O2
Molecular Weight288.48 g/mol
Exact Mass288.28
IUPAC Nameethane;N-methyl-7-morpholin-4-ylheptanamide
SMILESCC.CC.CNC(=O)CCCCCCN1CCOCC1
InChIInChI=1S/C12H24N2O2.2C2H6/c1-13-12(15)6-4-2-3-5-7-14-8-10-16-11-9-14;2*1-2/h2-11H2,1H3,(H,13,15);2*1-2H3
InChIKeyPXLKFICHTUHBRZ-UHFFFAOYSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.07
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-methyl-7-morpholin-4-ylheptanamide
CID 176680363
N-methyl-3-morpholin-4-ylpropanamide;hydrochloride
CID 45264777
N-methyl-4-(2-morpholin-4-ylethylamino)butanamide
CID 63892681
5-morpholin-4-ylpentanehydrazide
CID 63570305
ethane;N-methyl-2-morpholin-4-ylacetamide
CID 143296562
(1E)-1-hydroxyimino-8-morpholin-4-yloctan-2-one
CID 6870353
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
5-hydroxy-N-(3-morpholin-4-ylpropyl)pentanamide
CID 79199883
N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid
CID 172692510
N,N'-dimethylheptanediamide
CID 15166696
ethane;4-morpholin-4-ylbutan-1-ol
CID 162683886
ethyl 7-morpholin-4-ylheptanoate
CID 56691255

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-7-morpholin-4-ylheptanamide?
The IUPAC name of ethane;N-methyl-7-morpholin-4-ylheptanamide (CID 176680362) is ethane;N-methyl-7-morpholin-4-ylheptanamide.
What is the SMILES notation for ethane;N-methyl-7-morpholin-4-ylheptanamide?
The canonical SMILES for ethane;N-methyl-7-morpholin-4-ylheptanamide is CC.CC.CNC(=O)CCCCCCN1CCOCC1.
What is the InChIKey of ethane;N-methyl-7-morpholin-4-ylheptanamide?
The InChIKey is PXLKFICHTUHBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.2C2H6/c1-13-12(15)6-4-2-3-5-7-14-8-10-16-11-9-14;2*1-2/h2-11H2,1H3,(H,13,15);2*1-2H3.
What are the key properties of ethane;N-methyl-7-morpholin-4-ylheptanamide?
ethane;N-methyl-7-morpholin-4-ylheptanamide has a molecular weight of 288.48 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-7-morpholin-4-ylheptanamide is sourced from PubChem (CID 176680362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).