N-tert-butyl-N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide

C13H24N2O2 — CID 176757490

IUPACN-tert-butyl-N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide
SMILESC=C(CN1CCOCC1)C(=O)N(C)C(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-11(10-15-6-8-17-9-7-15)12(16)14(5)13(2,3)4/h1,6-10H2,2-5H3
InChIKeyZAZHHYYPQHYPLK-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.13
Rot. Bonds3

About N-tert-butyl-N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide

N-tert-butyl-N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide (PubChem CID 176757490) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide
PubChem CID176757490
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-tert-butyl-N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide
SMILESC=C(CN1CCOCC1)C(=O)N(C)C(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-11(10-15-6-8-17-9-7-15)12(16)14(5)13(2,3)4/h1,6-10H2,2-5H3
InChIKeyZAZHHYYPQHYPLK-UHFFFAOYSA-N
XLogP1.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethylpropyl)-2-(morpholin-4-ylmethyl)prop-2-enamide
CID 176757749
N-(3,3-dimethylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide
CID 176757674
1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
N-[(2S)-3-methylbutan-2-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide
CID 176757997
1-morpholin-4-ylpropan-2-one;hydrochloride
CID 67491798
S-(2-morpholin-4-ylacetyl)sulfanyl 2-morpholin-4-ylethanethioate
CID 57225107
2-[(dimethylamino)methyl]-4-methylpent-1-en-3-one;6-hydroxy-2-methyl-4-methylidenehexan-3-one;4-methyl-2-(morpholin-4-ylmethyl)pent-1-en-3-one
CID 158612254
tert-butyl 2-[7,13,16-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,10-dioxa-4,7,13,16-tetrazacyclooctadec-4-yl]acetate;ethane
CID 156838383
methyl 2-morpholin-4-ylacetate
CID 1268178
N-(3,3-dimethyl-4-morpholin-4-yl-4-oxobutyl)-N,2,2-trimethylpropanamide
CID 126763695
1-[4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]ethanone
CID 11507029
N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine
CID 21030135

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide?
The IUPAC name of N-tert-butyl-N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide (CID 176757490) is N-tert-butyl-N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-tert-butyl-N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide?
The canonical SMILES for N-tert-butyl-N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide is C=C(CN1CCOCC1)C(=O)N(C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide?
The InChIKey is ZAZHHYYPQHYPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(10-15-6-8-17-9-7-15)12(16)14(5)13(2,3)4/h1,6-10H2,2-5H3.
What are the key properties of N-tert-butyl-N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide?
N-tert-butyl-N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide has a molecular weight of 240.35 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide is sourced from PubChem (CID 176757490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).