(Z)-3-(4-morpholin-4-yl-3-propan-2-ylphenyl)prop-2-enamide

C16H22N2O2 — CID 170877788

IUPAC(Z)-3-(4-morpholin-4-yl-3-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1cc(/C=C\C(N)=O)ccc1N1CCOCC1
InChIInChI=1S/C16H22N2O2/c1-12(2)14-11-13(4-6-16(17)19)3-5-15(14)18-7-9-20-10-8-18/h3-6,11-12H,7-10H2,1-2H3,(H2,17,19)/b6-4-
InChIKeyOXXJIFSUXONQCM-XQRVVYSFSA-N
MW274.36 g/mol
LogP2.15
Rot. Bonds4

About (Z)-3-(4-morpholin-4-yl-3-propan-2-ylphenyl)prop-2-enamide

(Z)-3-(4-morpholin-4-yl-3-propan-2-ylphenyl)prop-2-enamide (PubChem CID 170877788) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (Z)-3-(4-morpholin-4-yl-3-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-morpholin-4-yl-3-propan-2-ylphenyl)prop-2-enamide
PubChem CID170877788
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(Z)-3-(4-morpholin-4-yl-3-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1cc(/C=C\C(N)=O)ccc1N1CCOCC1
InChIInChI=1S/C16H22N2O2/c1-12(2)14-11-13(4-6-16(17)19)3-5-15(14)18-7-9-20-10-8-18/h3-6,11-12H,7-10H2,1-2H3,(H2,17,19)/b6-4-
InChIKeyOXXJIFSUXONQCM-XQRVVYSFSA-N
XLogP2.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-methyl-4-morpholin-4-ylphenyl)prop-2-enoic acid
CID 76936167
3-(3-fluoro-4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 165346678
(Z)-3-(3-chloro-4-piperidin-1-ylphenyl)prop-2-enamide
CID 170877762
(E)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enoate
CID 7325851
methyl 3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enoate
CID 2794875
(E)-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
CID 170877800
1-(5-methyl-2-morpholin-4-ylphenyl)ethanone
CID 117312505
(E)-3-(3-nitro-4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 170876700
methyl 2-hydroxy-2-(5-methyl-2-morpholin-4-ylphenyl)acetate
CID 117417055
methyl 2-morpholin-4-yl-5-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate
CID 7329194
(E)-N-(2-morpholin-4-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1291388
(E)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6124008

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-morpholin-4-yl-3-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(4-morpholin-4-yl-3-propan-2-ylphenyl)prop-2-enamide (CID 170877788) is (Z)-3-(4-morpholin-4-yl-3-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(4-morpholin-4-yl-3-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(4-morpholin-4-yl-3-propan-2-ylphenyl)prop-2-enamide is CC(C)c1cc(/C=C\C(N)=O)ccc1N1CCOCC1.
What is the InChIKey of (Z)-3-(4-morpholin-4-yl-3-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is OXXJIFSUXONQCM-XQRVVYSFSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(2)14-11-13(4-6-16(17)19)3-5-15(14)18-7-9-20-10-8-18/h3-6,11-12H,7-10H2,1-2H3,(H2,17,19)/b6-4-.
What are the key properties of (Z)-3-(4-morpholin-4-yl-3-propan-2-ylphenyl)prop-2-enamide?
(Z)-3-(4-morpholin-4-yl-3-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 274.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-morpholin-4-yl-3-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 170877788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).