N-(3,3-dimethylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide

C14H26N2O2 — CID 176757674

IUPACN-(3,3-dimethylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide
SMILESC=C(CN1CCOCC1)C(=O)NC(C)C(C)(C)C
InChIInChI=1S/C14H26N2O2/c1-11(10-16-6-8-18-9-7-16)13(17)15-12(2)14(3,4)5/h12H,1,6-10H2,2-5H3,(H,15,17)
InChIKeyOICJTWGRUKRLIQ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.43
Rot. Bonds4

About N-(3,3-dimethylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide

N-(3,3-dimethylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide (PubChem CID 176757674) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide
PubChem CID176757674
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide
SMILESC=C(CN1CCOCC1)C(=O)NC(C)C(C)(C)C
InChIInChI=1S/C14H26N2O2/c1-11(10-16-6-8-18-9-7-16)13(17)15-12(2)14(3,4)5/h12H,1,6-10H2,2-5H3,(H,15,17)
InChIKeyOICJTWGRUKRLIQ-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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Related Compounds

N-[(2S)-3-methylbutan-2-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide
CID 176757997
N-(2,2-dimethylpropyl)-2-(morpholin-4-ylmethyl)prop-2-enamide
CID 176757749
N-tert-butyl-N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide
CID 176757490
methyl 3,3-dimethyl-2-(morpholin-4-ylmethyl)butanoate
CID 117242468
N-(4-hydroxybutan-2-yl)-2-morpholin-4-ylacetamide
CID 110011691
2-(morpholin-4-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103068808
potassium (2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoate
CID 131737033
methyl 2-morpholin-4-ylacetate
CID 1268178
1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
(2R)-2-amino-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 79011788
N'-[1-(4-tert-butylphenyl)ethenyl]-2-morpholin-4-ylacetohydrazide
CID 5177812
1-morpholin-4-ylpropan-2-one;hydrochloride
CID 67491798

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide (CID 176757674) is N-(3,3-dimethylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide is C=C(CN1CCOCC1)C(=O)NC(C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide?
The InChIKey is OICJTWGRUKRLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(10-16-6-8-18-9-7-16)13(17)15-12(2)14(3,4)5/h12H,1,6-10H2,2-5H3,(H,15,17).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide?
N-(3,3-dimethylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide 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-(3,3-dimethylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide is sourced from PubChem (CID 176757674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).