N-(4-propylmorpholin-3-yl)prop-2-enamide

C10H18N2O2 — CID 66614706

IUPACN-(4-propylmorpholin-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1COCCN1CCC
InChIInChI=1S/C10H18N2O2/c1-3-5-12-6-7-14-8-9(12)11-10(13)4-2/h4,9H,2-3,5-8H2,1H3,(H,11,13)
InChIKeyFZDPNIIRZFJVLT-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.36
Rot. Bonds4

About N-(4-propylmorpholin-3-yl)prop-2-enamide

N-(4-propylmorpholin-3-yl)prop-2-enamide (PubChem CID 66614706) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(4-propylmorpholin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-propylmorpholin-3-yl)prop-2-enamide
PubChem CID66614706
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-(4-propylmorpholin-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1COCCN1CCC
InChIInChI=1S/C10H18N2O2/c1-3-5-12-6-7-14-8-9(12)11-10(13)4-2/h4,9H,2-3,5-8H2,1H3,(H,11,13)
InChIKeyFZDPNIIRZFJVLT-UHFFFAOYSA-N
XLogP0.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.36
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-[(Morpholin-4-yl)methyl]prop-2-enamide
CID 22725837
2-Methyl-N-[(morpholin-4-yl)methyl]prop-2-enamide
CID 21536823
N-(2-Morpholinoethyl)acrylamide
CID 10241489
N-(3-Morpholinopropyl)acrylamide
CID 11735756
N-morpholinomethylacrylamide hydrochloride
CID 129761885
Methacrylamido-4-(2-aminoethyl)morpholine
CID 129855611
3-Methyl-6-(3-morpholin-4-ylpropylamino)-1-prop-2-enylpyrimidine-2,4-dione
CID 4345306
1-(Morpholin-4-ylmethyl)-3-prop-2-enylurea
CID 249769
N-(1-morpholin-4-ylethyl)prop-2-enamide
CID 18539662
N-[1-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide
CID 19872356
N-[4-[2-[2,4,6-trioxo-3,5-bis[2-[4-(prop-2-enoylamino)butoxy]ethyl]-1,3,5-triazinan-1-yl]ethoxy]butyl]prop-2-enamide
CID 20214111
N-[2-[2-(dimethylamino)ethoxy]ethyl]prop-2-enamide
CID 20310793

Frequently Asked Questions

What is the IUPAC name of N-(4-propylmorpholin-3-yl)prop-2-enamide?
The IUPAC name of N-(4-propylmorpholin-3-yl)prop-2-enamide (CID 66614706) is N-(4-propylmorpholin-3-yl)prop-2-enamide.
What is the SMILES notation for N-(4-propylmorpholin-3-yl)prop-2-enamide?
The canonical SMILES for N-(4-propylmorpholin-3-yl)prop-2-enamide is C=CC(=O)NC1COCCN1CCC.
What is the InChIKey of N-(4-propylmorpholin-3-yl)prop-2-enamide?
The InChIKey is FZDPNIIRZFJVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-5-12-6-7-14-8-9(12)11-10(13)4-2/h4,9H,2-3,5-8H2,1H3,(H,11,13).
What are the key properties of N-(4-propylmorpholin-3-yl)prop-2-enamide?
N-(4-propylmorpholin-3-yl)prop-2-enamide has a molecular weight of 198.27 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propylmorpholin-3-yl)prop-2-enamide is sourced from PubChem (CID 66614706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).