N-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-ylbuta-2,3-dienamide

C13H20N2O3 — CID 123508124

IUPACN-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-ylbuta-2,3-dienamide
SMILESC=C=C(C(=O)NCC(=O)N1CCOCC1)C(C)C
InChIInChI=1S/C13H20N2O3/c1-4-11(10(2)3)13(17)14-9-12(16)15-5-7-18-8-6-15/h10H,1,5-9H2,2-3H3,(H,14,17)
InChIKeyDONPYEVEVMFCNK-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.33
Rot. Bonds4

About N-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-ylbuta-2,3-dienamide

N-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-ylbuta-2,3-dienamide (PubChem CID 123508124) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-ylbuta-2,3-dienamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-ylbuta-2,3-dienamide
PubChem CID123508124
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-ylbuta-2,3-dienamide
SMILESC=C=C(C(=O)NCC(=O)N1CCOCC1)C(C)C
InChIInChI=1S/C13H20N2O3/c1-4-11(10(2)3)13(17)14-9-12(16)15-5-7-18-8-6-15/h10H,1,5-9H2,2-3H3,(H,14,17)
InChIKeyDONPYEVEVMFCNK-UHFFFAOYSA-N
XLogP0.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-ylbuta-2,3-dienamide with MolForge

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Related Compounds

1-morpholin-4-yl-2-propan-2-ylbuta-2,3-dien-1-one
CID 123435891
2,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide
CID 47009992
formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one
CID 143869951
N-(3-methyl-2-oxobutyl)morpholine-4-carboxamide
CID 79152408
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
2-morpholin-4-yl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 86019043
2-(methoxyamino)-1-morpholin-4-ylethanone
CID 60702997
2-(4-ethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 75445681
2-(4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 110712382
2-[[(1S)-1-cyclohexylethyl]amino]-1-morpholin-4-ylethanone
CID 81385307
N-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]ethyl]acetamide
CID 43400877
2-(2-methylpropoxyamino)-1-morpholin-4-ylethanone
CID 82715515

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-ylbuta-2,3-dienamide?
The IUPAC name of N-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-ylbuta-2,3-dienamide (CID 123508124) is N-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-ylbuta-2,3-dienamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-ylbuta-2,3-dienamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-ylbuta-2,3-dienamide is C=C=C(C(=O)NCC(=O)N1CCOCC1)C(C)C.
What is the InChIKey of N-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-ylbuta-2,3-dienamide?
The InChIKey is DONPYEVEVMFCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-11(10(2)3)13(17)14-9-12(16)15-5-7-18-8-6-15/h10H,1,5-9H2,2-3H3,(H,14,17).
What are the key properties of N-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-ylbuta-2,3-dienamide?
N-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-ylbuta-2,3-dienamide has a molecular weight of 252.31 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-ylbuta-2,3-dienamide is sourced from PubChem (CID 123508124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).