N-(2,2-dimethylpropyl)-2-methylidene-3-morpholin-4-ylbutanamide

C14H26N2O2 — CID 176757581

IUPACN-(2,2-dimethylpropyl)-2-methylidene-3-morpholin-4-ylbutanamide
SMILESC=C(C(=O)NCC(C)(C)C)C(C)N1CCOCC1
InChIInChI=1S/C14H26N2O2/c1-11(13(17)15-10-14(3,4)5)12(2)16-6-8-18-9-7-16/h12H,1,6-10H2,2-5H3,(H,15,17)
InChIKeyQOPRATJMLRBNBN-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.43
Rot. Bonds4

About N-(2,2-dimethylpropyl)-2-methylidene-3-morpholin-4-ylbutanamide

N-(2,2-dimethylpropyl)-2-methylidene-3-morpholin-4-ylbutanamide (PubChem CID 176757581) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-methylidene-3-morpholin-4-ylbutanamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-methylidene-3-morpholin-4-ylbutanamide
PubChem CID176757581
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-(2,2-dimethylpropyl)-2-methylidene-3-morpholin-4-ylbutanamide
SMILESC=C(C(=O)NCC(C)(C)C)C(C)N1CCOCC1
InChIInChI=1S/C14H26N2O2/c1-11(13(17)15-10-14(3,4)5)12(2)16-6-8-18-9-7-16/h12H,1,6-10H2,2-5H3,(H,15,17)
InChIKeyQOPRATJMLRBNBN-UHFFFAOYSA-N
XLogP1.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-methylidene-3-morpholin-4-ylbutanamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-methylidene-3-morpholin-4-ylbutanamide (CID 176757581) is N-(2,2-dimethylpropyl)-2-methylidene-3-morpholin-4-ylbutanamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-methylidene-3-morpholin-4-ylbutanamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-methylidene-3-morpholin-4-ylbutanamide is C=C(C(=O)NCC(C)(C)C)C(C)N1CCOCC1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-methylidene-3-morpholin-4-ylbutanamide?
The InChIKey is QOPRATJMLRBNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(13(17)15-10-14(3,4)5)12(2)16-6-8-18-9-7-16/h12H,1,6-10H2,2-5H3,(H,15,17).
What are the key properties of N-(2,2-dimethylpropyl)-2-methylidene-3-morpholin-4-ylbutanamide?
N-(2,2-dimethylpropyl)-2-methylidene-3-morpholin-4-ylbutanamide has a molecular weight of 254.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-methylidene-3-morpholin-4-ylbutanamide is sourced from PubChem (CID 176757581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).