N-[2-[methyl(2-methylheptan-2-yl)amino]ethyl]prop-2-enamide

C14H28N2O — CID 166651279

IUPACN-[2-[methyl(2-methylheptan-2-yl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN(C)C(C)(C)CCCCC
InChIInChI=1S/C14H28N2O/c1-6-8-9-10-14(3,4)16(5)12-11-15-13(17)7-2/h7H,2,6,8-12H2,1,3-5H3,(H,15,17)
InChIKeyBDPCHTWBTXBQKP-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.58
Rot. Bonds9

About N-[2-[methyl(2-methylheptan-2-yl)amino]ethyl]prop-2-enamide

N-[2-[methyl(2-methylheptan-2-yl)amino]ethyl]prop-2-enamide (PubChem CID 166651279) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[2-[methyl(2-methylheptan-2-yl)amino]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[methyl(2-methylheptan-2-yl)amino]ethyl]prop-2-enamide
PubChem CID166651279
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[2-[methyl(2-methylheptan-2-yl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN(C)C(C)(C)CCCCC
InChIInChI=1S/C14H28N2O/c1-6-8-9-10-14(3,4)16(5)12-11-15-13(17)7-2/h7H,2,6,8-12H2,1,3-5H3,(H,15,17)
InChIKeyBDPCHTWBTXBQKP-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[2-[methyl(2-methylheptan-2-yl)amino]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[methyl(2-methylheptan-2-yl)amino]ethyl]prop-2-enamide (CID 166651279) is N-[2-[methyl(2-methylheptan-2-yl)amino]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[methyl(2-methylheptan-2-yl)amino]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[methyl(2-methylheptan-2-yl)amino]ethyl]prop-2-enamide is C=CC(=O)NCCN(C)C(C)(C)CCCCC.
What is the InChIKey of N-[2-[methyl(2-methylheptan-2-yl)amino]ethyl]prop-2-enamide?
The InChIKey is BDPCHTWBTXBQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-6-8-9-10-14(3,4)16(5)12-11-15-13(17)7-2/h7H,2,6,8-12H2,1,3-5H3,(H,15,17).
What are the key properties of N-[2-[methyl(2-methylheptan-2-yl)amino]ethyl]prop-2-enamide?
N-[2-[methyl(2-methylheptan-2-yl)amino]ethyl]prop-2-enamide has a molecular weight of 240.39 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(2-methylheptan-2-yl)amino]ethyl]prop-2-enamide is sourced from PubChem (CID 166651279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).