(E)-N-methyl-3-(5-methylfuran-2-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide

C21H25N3O4 — CID 51143443

IUPAC(E)-N-methyl-3-(5-methylfuran-2-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)o1
InChIInChI=1S/C21H25N3O4/c1-16-3-8-19(28-16)9-10-21(26)23(2)15-20(25)22-17-4-6-18(7-5-17)24-11-13-27-14-12-24/h3-10H,11-15H2,1-2H3,(H,22,25)/b10-9+
InChIKeyPFUBCXKRHFNFPQ-MDZDMXLPSA-N
MW383.45 g/mol
LogP2.53
Rot. Bonds6

About (E)-N-methyl-3-(5-methylfuran-2-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide

(E)-N-methyl-3-(5-methylfuran-2-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide (PubChem CID 51143443) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is (E)-N-methyl-3-(5-methylfuran-2-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-(5-methylfuran-2-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
PubChem CID51143443
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name(E)-N-methyl-3-(5-methylfuran-2-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)o1
InChIInChI=1S/C21H25N3O4/c1-16-3-8-19(28-16)9-10-21(26)23(2)15-20(25)22-17-4-6-18(7-5-17)24-11-13-27-14-12-24/h3-10H,11-15H2,1-2H3,(H,22,25)/b10-9+
InChIKeyPFUBCXKRHFNFPQ-MDZDMXLPSA-N
XLogP2.53
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.53
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)-3-(3,5-dimethoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
CID 55413486
(E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
CID 9409440
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(3-nitrophenyl)prop-2-enamide
CID 4820765
N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211
(2R)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 9409375
2-hydroxy-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51143460
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592798
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55720056
3-acetamido-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 9409522
2-(4-chlorophenoxy)-N,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 4820759
3-methyl-N-[3-methyl-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide
CID 55328581

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-(5-methylfuran-2-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide?
The IUPAC name of (E)-N-methyl-3-(5-methylfuran-2-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide (CID 51143443) is (E)-N-methyl-3-(5-methylfuran-2-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-(5-methylfuran-2-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-(5-methylfuran-2-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide is Cc1ccc(/C=C/C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)o1.
What is the InChIKey of (E)-N-methyl-3-(5-methylfuran-2-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide?
The InChIKey is PFUBCXKRHFNFPQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-16-3-8-19(28-16)9-10-21(26)23(2)15-20(25)22-17-4-6-18(7-5-17)24-11-13-27-14-12-24/h3-10H,11-15H2,1-2H3,(H,22,25)/b10-9+.
What are the key properties of (E)-N-methyl-3-(5-methylfuran-2-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide?
(E)-N-methyl-3-(5-methylfuran-2-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide has a molecular weight of 383.45 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-(5-methylfuran-2-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 51143443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).