azane;N'-decyl-2-ethyl-4-methylpentanediamide;methane

C19H43N3O2 — CID 160939123

IUPACazane;N'-decyl-2-ethyl-4-methylpentanediamide;methane
SMILESC.CCCCCCCCCCNC(=O)C(C)CC(CC)C(N)=O.N
InChIInChI=1S/C18H36N2O2.CH4.H3N/c1-4-6-7-8-9-10-11-12-13-20-18(22)15(3)14-16(5-2)17(19)21;;/h15-16H,4-14H2,1-3H3,(H2,19,21)(H,20,22);1H4;1H3
InChIKeyLBWYRLGAZCVKKL-UHFFFAOYSA-N
MW345.57 g/mol
LogP4.58
Rot. Bonds14

About azane;N'-decyl-2-ethyl-4-methylpentanediamide;methane

azane;N'-decyl-2-ethyl-4-methylpentanediamide;methane (PubChem CID 160939123) has the molecular formula C19H43N3O2 and a molecular weight of 345.57 g/mol. Its IUPAC name is azane;N'-decyl-2-ethyl-4-methylpentanediamide;methane.

Molecular Properties

Compound Nameazane;N'-decyl-2-ethyl-4-methylpentanediamide;methane
PubChem CID160939123
Molecular FormulaC19H43N3O2
Molecular Weight345.57 g/mol
Exact Mass345.34
IUPAC Nameazane;N'-decyl-2-ethyl-4-methylpentanediamide;methane
SMILESC.CCCCCCCCCCNC(=O)C(C)CC(CC)C(N)=O.N
InChIInChI=1S/C18H36N2O2.CH4.H3N/c1-4-6-7-8-9-10-11-12-13-20-18(22)15(3)14-16(5-2)17(19)21;;/h15-16H,4-14H2,1-3H3,(H2,19,21)(H,20,22);1H4;1H3
InChIKeyLBWYRLGAZCVKKL-UHFFFAOYSA-N
XLogP4.58
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 54.58
H-Bond Donors ≤ 53
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-[(2-bromoacetyl)amino]pentyl]-2-ethyl-4-methylpentanediamide
CID 90068818
(2S)-3-amino-N-hexyl-2-methylpropanamide
CID 166872434
2-methyl-N-nonyldecanamide
CID 141429494
2-ethyl-N-undecylpentanamide
CID 160695439
azane;2-ethyldodecanamide
CID 174462460
(2S)-2-(2-methylpropyl)-4-(octylcarbamoyl)hexanoic acid
CID 58657978
1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide
CID 89449425
(2R)-2-amino-N-tetradecylbutanamide
CID 158842614
2-ethyl-N-pentylhexanamide
CID 5123867
2-(dimethylamino)-N-octadecylpropanamide
CID 161206779
ethane;4-(heptylamino)-3-methyl-4-oxobutanoic acid
CID 145321345
5-amino-2-methyl-N-pentylpentanamide
CID 104683456

Frequently Asked Questions

What is the IUPAC name of azane;N'-decyl-2-ethyl-4-methylpentanediamide;methane?
The IUPAC name of azane;N'-decyl-2-ethyl-4-methylpentanediamide;methane (CID 160939123) is azane;N'-decyl-2-ethyl-4-methylpentanediamide;methane.
What is the SMILES notation for azane;N'-decyl-2-ethyl-4-methylpentanediamide;methane?
The canonical SMILES for azane;N'-decyl-2-ethyl-4-methylpentanediamide;methane is C.CCCCCCCCCCNC(=O)C(C)CC(CC)C(N)=O.N.
What is the InChIKey of azane;N'-decyl-2-ethyl-4-methylpentanediamide;methane?
The InChIKey is LBWYRLGAZCVKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2.CH4.H3N/c1-4-6-7-8-9-10-11-12-13-20-18(22)15(3)14-16(5-2)17(19)21;;/h15-16H,4-14H2,1-3H3,(H2,19,21)(H,20,22);1H4;1H3.
What are the key properties of azane;N'-decyl-2-ethyl-4-methylpentanediamide;methane?
azane;N'-decyl-2-ethyl-4-methylpentanediamide;methane has a molecular weight of 345.57 g/mol, XLogP of 4.58, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N'-decyl-2-ethyl-4-methylpentanediamide;methane is sourced from PubChem (CID 160939123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).