methyl 2-morpholin-4-yl-5-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate

C24H28N2O4 — CID 7329194

IUPACmethyl 2-morpholin-4-yl-5-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)/C=C/c2ccc(C(C)C)cc2)ccc1N1CCOCC1
InChIInChI=1S/C24H28N2O4/c1-17(2)19-7-4-18(5-8-19)6-11-23(27)25-20-9-10-22(21(16-20)24(28)29-3)26-12-14-30-15-13-26/h4-11,16-17H,12-15H2,1-3H3,(H,25,27)/b11-6+
InChIKeyRTEONKJFSZHFCI-IZZDOVSWSA-N
MW408.50 g/mol
LogP4.09
Rot. Bonds6

About methyl 2-morpholin-4-yl-5-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate

methyl 2-morpholin-4-yl-5-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate (PubChem CID 7329194) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is methyl 2-morpholin-4-yl-5-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-morpholin-4-yl-5-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate
PubChem CID7329194
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Namemethyl 2-morpholin-4-yl-5-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)/C=C/c2ccc(C(C)C)cc2)ccc1N1CCOCC1
InChIInChI=1S/C24H28N2O4/c1-17(2)19-7-4-18(5-8-19)6-11-23(27)25-20-9-10-22(21(16-20)24(28)29-3)26-12-14-30-15-13-26/h4-11,16-17H,12-15H2,1-3H3,(H,25,27)/b11-6+
InChIKeyRTEONKJFSZHFCI-IZZDOVSWSA-N
XLogP4.09
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(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
(E)-N-(2-morpholin-4-yl-4-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 17220931
3-(4-propan-2-ylphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 806937
methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 2809863
(E)-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1491042
methyl 2-morpholin-4-yl-5-sulfanylbenzoate
CID 71105835
methyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate
CID 7328433
methyl 2-morpholin-4-yl-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate
CID 6198714
prop-2-enyl 2-morpholin-4-yl-5-propan-2-ylbenzoate
CID 143243225
(E)-N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1121350
3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 878244

Frequently Asked Questions

What is the IUPAC name of methyl 2-morpholin-4-yl-5-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate?
The IUPAC name of methyl 2-morpholin-4-yl-5-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate (CID 7329194) is methyl 2-morpholin-4-yl-5-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate.
What is the SMILES notation for methyl 2-morpholin-4-yl-5-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate?
The canonical SMILES for methyl 2-morpholin-4-yl-5-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate is COC(=O)c1cc(NC(=O)/C=C/c2ccc(C(C)C)cc2)ccc1N1CCOCC1.
What is the InChIKey of methyl 2-morpholin-4-yl-5-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate?
The InChIKey is RTEONKJFSZHFCI-IZZDOVSWSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-17(2)19-7-4-18(5-8-19)6-11-23(27)25-20-9-10-22(21(16-20)24(28)29-3)26-12-14-30-15-13-26/h4-11,16-17H,12-15H2,1-3H3,(H,25,27)/b11-6+.
What are the key properties of methyl 2-morpholin-4-yl-5-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate?
methyl 2-morpholin-4-yl-5-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate has a molecular weight of 408.50 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-morpholin-4-yl-5-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate is sourced from PubChem (CID 7329194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).