N-[3-(dimethylamino)propyl]-3,3-dimethyl-6-(2-methylprop-2-enoylamino)hexanamide

C17H33N3O2 — CID 91043778

IUPACN-[3-(dimethylamino)propyl]-3,3-dimethyl-6-(2-methylprop-2-enoylamino)hexanamide
SMILESC=C(C)C(=O)NCCCC(C)(C)CC(=O)NCCCN(C)C
InChIInChI=1S/C17H33N3O2/c1-14(2)16(22)19-10-7-9-17(3,4)13-15(21)18-11-8-12-20(5)6/h1,7-13H2,2-6H3,(H,18,21)(H,19,22)
InChIKeyMVKXGADEMYEYAQ-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.94
Rot. Bonds11

About N-[3-(dimethylamino)propyl]-3,3-dimethyl-6-(2-methylprop-2-enoylamino)hexanamide

N-[3-(dimethylamino)propyl]-3,3-dimethyl-6-(2-methylprop-2-enoylamino)hexanamide (PubChem CID 91043778) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3,3-dimethyl-6-(2-methylprop-2-enoylamino)hexanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3,3-dimethyl-6-(2-methylprop-2-enoylamino)hexanamide
PubChem CID91043778
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN-[3-(dimethylamino)propyl]-3,3-dimethyl-6-(2-methylprop-2-enoylamino)hexanamide
SMILESC=C(C)C(=O)NCCCC(C)(C)CC(=O)NCCCN(C)C
InChIInChI=1S/C17H33N3O2/c1-14(2)16(22)19-10-7-9-17(3,4)13-15(21)18-11-8-12-20(5)6/h1,7-13H2,2-6H3,(H,18,21)(H,19,22)
InChIKeyMVKXGADEMYEYAQ-UHFFFAOYSA-N
XLogP1.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3,3-dimethyl-6-(2-methylprop-2-enoylamino)hexanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3,3-dimethyl-6-(2-methylprop-2-enoylamino)hexanamide (CID 91043778) is N-[3-(dimethylamino)propyl]-3,3-dimethyl-6-(2-methylprop-2-enoylamino)hexanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3,3-dimethyl-6-(2-methylprop-2-enoylamino)hexanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3,3-dimethyl-6-(2-methylprop-2-enoylamino)hexanamide is C=C(C)C(=O)NCCCC(C)(C)CC(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3,3-dimethyl-6-(2-methylprop-2-enoylamino)hexanamide?
The InChIKey is MVKXGADEMYEYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-14(2)16(22)19-10-7-9-17(3,4)13-15(21)18-11-8-12-20(5)6/h1,7-13H2,2-6H3,(H,18,21)(H,19,22).
What are the key properties of N-[3-(dimethylamino)propyl]-3,3-dimethyl-6-(2-methylprop-2-enoylamino)hexanamide?
N-[3-(dimethylamino)propyl]-3,3-dimethyl-6-(2-methylprop-2-enoylamino)hexanamide has a molecular weight of 311.47 g/mol, XLogP of 1.94, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3,3-dimethyl-6-(2-methylprop-2-enoylamino)hexanamide is sourced from PubChem (CID 91043778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).