N-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)prop-2-enamide

C12H22N2O2 — CID 146141993

IUPACN-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)prop-2-enamide
SMILESC=CC(=O)N(C)C(C)(C)CN1CCOCC1
InChIInChI=1S/C12H22N2O2/c1-5-11(15)13(4)12(2,3)10-14-6-8-16-9-7-14/h5H,1,6-10H2,2-4H3
InChIKeyDQSSLIABNIBUDP-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.74
Rot. Bonds4

About N-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)prop-2-enamide

N-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)prop-2-enamide (PubChem CID 146141993) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)prop-2-enamide
PubChem CID146141993
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)prop-2-enamide
SMILESC=CC(=O)N(C)C(C)(C)CN1CCOCC1
InChIInChI=1S/C12H22N2O2/c1-5-11(15)13(4)12(2,3)10-14-6-8-16-9-7-14/h5H,1,6-10H2,2-4H3
InChIKeyDQSSLIABNIBUDP-UHFFFAOYSA-N
XLogP0.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.74
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)prop-2-enamide?
The IUPAC name of N-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)prop-2-enamide (CID 146141993) is N-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)prop-2-enamide.
What is the SMILES notation for N-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)prop-2-enamide?
The canonical SMILES for N-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)prop-2-enamide is C=CC(=O)N(C)C(C)(C)CN1CCOCC1.
What is the InChIKey of N-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)prop-2-enamide?
The InChIKey is DQSSLIABNIBUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-11(15)13(4)12(2,3)10-14-6-8-16-9-7-14/h5H,1,6-10H2,2-4H3.
What are the key properties of N-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)prop-2-enamide?
N-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)prop-2-enamide has a molecular weight of 226.32 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)prop-2-enamide is sourced from PubChem (CID 146141993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).