N,2,2,6,6-pentamethyl-N'-prop-2-enyl-N-propylheptanediamide

C18H34N2O2 — CID 170519638

IUPACN,2,2,6,6-pentamethyl-N'-prop-2-enyl-N-propylheptanediamide
SMILESC=CCNC(=O)C(C)(C)CCCC(C)(C)C(=O)N(C)CCC
InChIInChI=1S/C18H34N2O2/c1-8-13-19-15(21)17(3,4)11-10-12-18(5,6)16(22)20(7)14-9-2/h8H,1,9-14H2,2-7H3,(H,19,21)
InChIKeyVHCYGXYJHMNZMC-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.38
Rot. Bonds10

About N,2,2,6,6-pentamethyl-N'-prop-2-enyl-N-propylheptanediamide

N,2,2,6,6-pentamethyl-N'-prop-2-enyl-N-propylheptanediamide (PubChem CID 170519638) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is N,2,2,6,6-pentamethyl-N'-prop-2-enyl-N-propylheptanediamide.

Molecular Properties

Compound NameN,2,2,6,6-pentamethyl-N'-prop-2-enyl-N-propylheptanediamide
PubChem CID170519638
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC NameN,2,2,6,6-pentamethyl-N'-prop-2-enyl-N-propylheptanediamide
SMILESC=CCNC(=O)C(C)(C)CCCC(C)(C)C(=O)N(C)CCC
InChIInChI=1S/C18H34N2O2/c1-8-13-19-15(21)17(3,4)11-10-12-18(5,6)16(22)20(7)14-9-2/h8H,1,9-14H2,2-7H3,(H,19,21)
InChIKeyVHCYGXYJHMNZMC-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,2,2,6,6-pentamethyl-N'-prop-2-enyl-N-propylheptanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,4-trimethyl-N-prop-2-enylpentanamide
CID 166713850
N-[3-(dimethylamino)propyl]-N,2,2-trimethyloctanamide
CID 174259846
1-ethyl-1-methyl-3-prop-2-enylurea
CID 115603850
N-ethyl-2,2-dimethylheptanamide
CID 168939290
2-tert-butyl-2,4,4-trimethyl-N-prop-2-enylpentanamide
CID 156569078
N-prop-2-enyl-2,2-bis(trifluoromethyl)butanamide
CID 71671966
1-pentyl-3-prop-2-enyl-1-sulfanylurea
CID 88764392
N,2,2-trimethyl-3-piperazin-1-yl-N-propylpropanamide
CID 115189037
N'-butyl-N-prop-2-enyl-N'-propyloxamide
CID 108521545
2-[[(3-amino-3,5-dimethylhexyl)-methylamino]oxymethyl]-N-prop-2-enylprop-2-enamide
CID 135129548
2-[[(2,2-dimethylheptylamino)-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110044918
N-(5-hydroxypentyl)-N,2,2-trimethylbutanamide
CID 107202384

Frequently Asked Questions

What is the IUPAC name of N,2,2,6,6-pentamethyl-N'-prop-2-enyl-N-propylheptanediamide?
The IUPAC name of N,2,2,6,6-pentamethyl-N'-prop-2-enyl-N-propylheptanediamide (CID 170519638) is N,2,2,6,6-pentamethyl-N'-prop-2-enyl-N-propylheptanediamide.
What is the SMILES notation for N,2,2,6,6-pentamethyl-N'-prop-2-enyl-N-propylheptanediamide?
The canonical SMILES for N,2,2,6,6-pentamethyl-N'-prop-2-enyl-N-propylheptanediamide is C=CCNC(=O)C(C)(C)CCCC(C)(C)C(=O)N(C)CCC.
What is the InChIKey of N,2,2,6,6-pentamethyl-N'-prop-2-enyl-N-propylheptanediamide?
The InChIKey is VHCYGXYJHMNZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-8-13-19-15(21)17(3,4)11-10-12-18(5,6)16(22)20(7)14-9-2/h8H,1,9-14H2,2-7H3,(H,19,21).
What are the key properties of N,2,2,6,6-pentamethyl-N'-prop-2-enyl-N-propylheptanediamide?
N,2,2,6,6-pentamethyl-N'-prop-2-enyl-N-propylheptanediamide has a molecular weight of 310.48 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,6,6-pentamethyl-N'-prop-2-enyl-N-propylheptanediamide is sourced from PubChem (CID 170519638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).