N-butan-2-yl-N-methyl-6-(prop-1-en-2-ylamino)hexanamide

C14H28N2O — CID 54398803

IUPACN-butan-2-yl-N-methyl-6-(prop-1-en-2-ylamino)hexanamide
SMILESC=C(C)NCCCCCC(=O)N(C)C(C)CC
InChIInChI=1S/C14H28N2O/c1-6-13(4)16(5)14(17)10-8-7-9-11-15-12(2)3/h13,15H,2,6-11H2,1,3-5H3
InChIKeyVLXXGVFSQIWCQJ-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.93
Rot. Bonds9

About N-butan-2-yl-N-methyl-6-(prop-1-en-2-ylamino)hexanamide

N-butan-2-yl-N-methyl-6-(prop-1-en-2-ylamino)hexanamide (PubChem CID 54398803) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-6-(prop-1-en-2-ylamino)hexanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-6-(prop-1-en-2-ylamino)hexanamide
PubChem CID54398803
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-butan-2-yl-N-methyl-6-(prop-1-en-2-ylamino)hexanamide
SMILESC=C(C)NCCCCCC(=O)N(C)C(C)CC
InChIInChI=1S/C14H28N2O/c1-6-13(4)16(5)14(17)10-8-7-9-11-15-12(2)3/h13,15H,2,6-11H2,1,3-5H3
InChIKeyVLXXGVFSQIWCQJ-UHFFFAOYSA-N
XLogP2.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-6-(prop-1-en-2-ylamino)hexanamide?
The IUPAC name of N-butan-2-yl-N-methyl-6-(prop-1-en-2-ylamino)hexanamide (CID 54398803) is N-butan-2-yl-N-methyl-6-(prop-1-en-2-ylamino)hexanamide.
What is the SMILES notation for N-butan-2-yl-N-methyl-6-(prop-1-en-2-ylamino)hexanamide?
The canonical SMILES for N-butan-2-yl-N-methyl-6-(prop-1-en-2-ylamino)hexanamide is C=C(C)NCCCCCC(=O)N(C)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-methyl-6-(prop-1-en-2-ylamino)hexanamide?
The InChIKey is VLXXGVFSQIWCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-6-13(4)16(5)14(17)10-8-7-9-11-15-12(2)3/h13,15H,2,6-11H2,1,3-5H3.
What are the key properties of N-butan-2-yl-N-methyl-6-(prop-1-en-2-ylamino)hexanamide?
N-butan-2-yl-N-methyl-6-(prop-1-en-2-ylamino)hexanamide has a molecular weight of 240.39 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-6-(prop-1-en-2-ylamino)hexanamide is sourced from PubChem (CID 54398803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).