N-(3-morpholin-4-ylpropyl)prop-2-enamide;prop-2-enamide

C13H23N3O3 — CID 159734807

IUPACN-(3-morpholin-4-ylpropyl)prop-2-enamide;prop-2-enamide
SMILESC=CC(=O)NCCCN1CCOCC1.C=CC(N)=O
InChIInChI=1S/C10H18N2O2.C3H5NO/c1-2-10(13)11-4-3-5-12-6-8-14-9-7-12;1-2-3(4)5/h2H,1,3-9H2,(H,11,13);2H,1H2,(H2,4,5)
InChIKeyNBRVBFAGKBRKNE-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.33
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)prop-2-enamide;prop-2-enamide

N-(3-morpholin-4-ylpropyl)prop-2-enamide;prop-2-enamide (PubChem CID 159734807) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)prop-2-enamide;prop-2-enamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)prop-2-enamide;prop-2-enamide
PubChem CID159734807
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-(3-morpholin-4-ylpropyl)prop-2-enamide;prop-2-enamide
SMILESC=CC(=O)NCCCN1CCOCC1.C=CC(N)=O
InChIInChI=1S/C10H18N2O2.C3H5NO/c1-2-10(13)11-4-3-5-12-6-8-14-9-7-12;1-2-3(4)5/h2H,1,3-9H2,(H,11,13);2H,1H2,(H2,4,5)
InChIKeyNBRVBFAGKBRKNE-UHFFFAOYSA-N
XLogP-0.33
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[2-methyl-4-(morpholin-4-yl)butan-2-yl]prop-2-enamide
CID 567672
N-[3-(morpholin-4-yl)propyl]-N'-(prop-2-en-1-yl)ethanediamide
CID 2291499
(E)-N-methyl-4-morpholin-4-ylbut-2-enamide
CID 89242760
2-Thiomorpholinoethylacrylamide
CID 131369
N-[(Morpholin-4-yl)methyl]prop-2-enamide
CID 22725837
N-(2-hydroxyethyl)prop-2-enamide;1-morpholin-4-ylprop-2-en-1-one
CID 69898105
N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)acrylamide
CID 89746615
(z,e)-3-(Methylamino)-1-(morpholin-4-yl)prop-2-en-1-one
CID 129407797
N-[2-(morpholin-4-yl)ethyl]-N'-(prop-2-en-1-yl)ethanediamide
CID 2271108
N-(2-Morpholinoethyl)acrylamide
CID 10241489
N-(3-Morpholinopropyl)acrylamide
CID 11735756
2-methyl-N-(4-morpholin-4-ylbutyl)prop-2-enamide
CID 18464091

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)prop-2-enamide;prop-2-enamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)prop-2-enamide;prop-2-enamide (CID 159734807) is N-(3-morpholin-4-ylpropyl)prop-2-enamide;prop-2-enamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)prop-2-enamide;prop-2-enamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)prop-2-enamide;prop-2-enamide is C=CC(=O)NCCCN1CCOCC1.C=CC(N)=O.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)prop-2-enamide;prop-2-enamide?
The InChIKey is NBRVBFAGKBRKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2.C3H5NO/c1-2-10(13)11-4-3-5-12-6-8-14-9-7-12;1-2-3(4)5/h2H,1,3-9H2,(H,11,13);2H,1H2,(H2,4,5).
What are the key properties of N-(3-morpholin-4-ylpropyl)prop-2-enamide;prop-2-enamide?
N-(3-morpholin-4-ylpropyl)prop-2-enamide;prop-2-enamide has a molecular weight of 269.34 g/mol, XLogP of -0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)prop-2-enamide;prop-2-enamide is sourced from PubChem (CID 159734807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).