2-tert-butyl-N-propan-2-ylhexanamide;2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhexanamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide;N,2-di(propan-2-yl)hexanamide;2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide

C81H158N6O6 — CID 161135794

IUPAC2-tert-butyl-N-propan-2-ylhexanamide;2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhexanamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide;N,2-di(propan-2-yl)hexanamide;2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide
SMILESC=CCCC(CC(=C)C)C(=O)NC(C)C.C=CCCC(CC(C)(C)C)C(=O)NC(C)C.C=CCCC(CC1CCCC1)C(=O)NC(C)C.CCCCC(C(=O)NC(C)C)C(C)(C)C.CCCCC(C(=O)NC(C)C)C(C)C.CCCCC(CC(C)(C)C)C(=O)NC(C)C
InChIInChI=1S/C15H27NO.C14H29NO.C14H27NO.C13H27NO.C13H23NO.C12H25NO/c1-4-5-10-14(15(17)16-12(2)3)11-13-8-6-7-9-13;2*1-7-8-9-12(10-14(4,5)6)13(16)15-11(2)3;1-7-8-9-11(13(4,5)6)12(15)14-10(2)3;1-6-7-8-12(9-10(2)3)13(15)14-11(4)5;1-6-7-8-11(9(2)3)12(14)13-10(4)5/h4,12-14H,1,5-11H2,2-3H3,(H,16,17);11-12H,7-10H2,1-6H3,(H,15,16);7,11-12H,1,8-10H2,2-6H3,(H,15,16);10-11H,7-9H2,1-6H3,(H,14,15);6,11-12H,1-2,7-9H2,3-5H3,(H,14,15);9-11H,6-8H2,1-5H3,(H,13,14)
InChIKeyUMTVGODMGQXDHP-UHFFFAOYSA-N
MW1312.19 g/mol
LogP20.35
Rot. Bonds37

About 2-tert-butyl-N-propan-2-ylhexanamide;2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhexanamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide;N,2-di(propan-2-yl)hexanamide;2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide

2-tert-butyl-N-propan-2-ylhexanamide;2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhexanamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide;N,2-di(propan-2-yl)hexanamide;2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide (PubChem CID 161135794) has the molecular formula C81H158N6O6 and a molecular weight of 1312.19 g/mol. Its IUPAC name is 2-tert-butyl-N-propan-2-ylhexanamide;2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhexanamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide;N,2-di(propan-2-yl)hexanamide;2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide.

Molecular Properties

Compound Name2-tert-butyl-N-propan-2-ylhexanamide;2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhexanamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide;N,2-di(propan-2-yl)hexanamide;2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide
PubChem CID161135794
Molecular FormulaC81H158N6O6
Molecular Weight1312.19 g/mol
Exact Mass1311.22
IUPAC Name2-tert-butyl-N-propan-2-ylhexanamide;2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhexanamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide;N,2-di(propan-2-yl)hexanamide;2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide
SMILESC=CCCC(CC(=C)C)C(=O)NC(C)C.C=CCCC(CC(C)(C)C)C(=O)NC(C)C.C=CCCC(CC1CCCC1)C(=O)NC(C)C.CCCCC(C(=O)NC(C)C)C(C)(C)C.CCCCC(C(=O)NC(C)C)C(C)C.CCCCC(CC(C)(C)C)C(=O)NC(C)C
InChIInChI=1S/C15H27NO.C14H29NO.C14H27NO.C13H27NO.C13H23NO.C12H25NO/c1-4-5-10-14(15(17)16-12(2)3)11-13-8-6-7-9-13;2*1-7-8-9-12(10-14(4,5)6)13(16)15-11(2)3;1-7-8-9-11(13(4,5)6)12(15)14-10(2)3;1-6-7-8-12(9-10(2)3)13(15)14-11(4)5;1-6-7-8-11(9(2)3)12(14)13-10(4)5/h4,12-14H,1,5-11H2,2-3H3,(H,16,17);11-12H,7-10H2,1-6H3,(H,15,16);7,11-12H,1,8-10H2,2-6H3,(H,15,16);10-11H,7-9H2,1-6H3,(H,14,15);6,11-12H,1-2,7-9H2,3-5H3,(H,14,15);9-11H,6-8H2,1-5H3,(H,13,14)
InChIKeyUMTVGODMGQXDHP-UHFFFAOYSA-N
XLogP20.35
TPSA174.60 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds37
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001312.19
LogP ≤ 520.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-N-propan-2-ylhexanamide;2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhexanamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide;N,2-di(propan-2-yl)hexanamide;2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-propan-2-ylhexanamide;2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhexanamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide;N,2-di(propan-2-yl)hexanamide;2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide?
The IUPAC name of 2-tert-butyl-N-propan-2-ylhexanamide;2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhexanamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide;N,2-di(propan-2-yl)hexanamide;2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide (CID 161135794) is 2-tert-butyl-N-propan-2-ylhexanamide;2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhexanamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide;N,2-di(propan-2-yl)hexanamide;2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide.
What is the SMILES notation for 2-tert-butyl-N-propan-2-ylhexanamide;2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhexanamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide;N,2-di(propan-2-yl)hexanamide;2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide?
The canonical SMILES for 2-tert-butyl-N-propan-2-ylhexanamide;2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhexanamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide;N,2-di(propan-2-yl)hexanamide;2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide is C=CCCC(CC(=C)C)C(=O)NC(C)C.C=CCCC(CC(C)(C)C)C(=O)NC(C)C.C=CCCC(CC1CCCC1)C(=O)NC(C)C.CCCCC(C(=O)NC(C)C)C(C)(C)C.CCCCC(C(=O)NC(C)C)C(C)C.CCCCC(CC(C)(C)C)C(=O)NC(C)C.
What is the InChIKey of 2-tert-butyl-N-propan-2-ylhexanamide;2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhexanamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide;N,2-di(propan-2-yl)hexanamide;2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide?
The InChIKey is UMTVGODMGQXDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO.C14H29NO.C14H27NO.C13H27NO.C13H23NO.C12H25NO/c1-4-5-10-14(15(17)16-12(2)3)11-13-8-6-7-9-13;2*1-7-8-9-12(10-14(4,5)6)13(16)15-11(2)3;1-7-8-9-11(13(4,5)6)12(15)14-10(2)3;1-6-7-8-12(9-10(2)3)13(15)14-11(4)5;1-6-7-8-11(9(2)3)12(14)13-10(4)5/h4,12-14H,1,5-11H2,2-3H3,(H,16,17);11-12H,7-10H2,1-6H3,(H,15,16);7,11-12H,1,8-10H2,2-6H3,(H,15,16);10-11H,7-9H2,1-6H3,(H,14,15);6,11-12H,1-2,7-9H2,3-5H3,(H,14,15);9-11H,6-8H2,1-5H3,(H,13,14).
What are the key properties of 2-tert-butyl-N-propan-2-ylhexanamide;2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhexanamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide;N,2-di(propan-2-yl)hexanamide;2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide?
2-tert-butyl-N-propan-2-ylhexanamide;2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhexanamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide;N,2-di(propan-2-yl)hexanamide;2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide has a molecular weight of 1312.19 g/mol, XLogP of 20.35, 37 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-propan-2-ylhexanamide;2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhexanamide;2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide;N,2-di(propan-2-yl)hexanamide;2-(2-methylprop-2-enyl)-N-propan-2-ylhex-5-enamide is sourced from PubChem (CID 161135794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).