N-ethyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide

C28H37N3O5 — CID 55342247

IUPACN-ethyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C=Cc1ccc(OCC(C)C)c(OC)c1
InChIInChI=1S/C28H37N3O5/c1-5-30(19-27(32)29-23-8-10-24(11-9-23)31-14-16-35-17-15-31)28(33)13-7-22-6-12-25(26(18-22)34-4)36-20-21(2)3/h6-13,18,21H,5,14-17,19-20H2,1-4H3,(H,29,32)
InChIKeyARQMUDBPGOAXID-UHFFFAOYSA-N
MW495.62 g/mol
LogP4.07
Rot. Bonds11

About N-ethyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide

N-ethyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide (PubChem CID 55342247) has the molecular formula C28H37N3O5 and a molecular weight of 495.62 g/mol. Its IUPAC name is N-ethyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
PubChem CID55342247
Molecular FormulaC28H37N3O5
Molecular Weight495.62 g/mol
Exact Mass495.27
IUPAC NameN-ethyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C=Cc1ccc(OCC(C)C)c(OC)c1
InChIInChI=1S/C28H37N3O5/c1-5-30(19-27(32)29-23-8-10-24(11-9-23)31-14-16-35-17-15-31)28(33)13-7-22-6-12-25(26(18-22)34-4)36-20-21(2)3/h6-13,18,21H,5,14-17,19-20H2,1-4H3,(H,29,32)
InChIKeyARQMUDBPGOAXID-UHFFFAOYSA-N
XLogP4.07
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 46647935
(E)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-(4-ethoxy-3-methoxyphenyl)-N-ethylprop-2-enamide
CID 24982975
(E)-N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 24518009
(E)-3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 1107601
(E)-3-(4-butoxy-3-methoxyphenyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylprop-2-enamide
CID 24978992
(E)-3-(3,5-dimethoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
CID 55413486
2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4044574
(E)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 46554991
(E)-N-ethyl-3-(1H-imidazol-5-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
CID 91652356
N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide
CID 51156379
N-ethyl-2-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
CID 51331192
2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55342225

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide?
The IUPAC name of N-ethyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide (CID 55342247) is N-ethyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for N-ethyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide?
The canonical SMILES for N-ethyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide is CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C=Cc1ccc(OCC(C)C)c(OC)c1.
What is the InChIKey of N-ethyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide?
The InChIKey is ARQMUDBPGOAXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O5/c1-5-30(19-27(32)29-23-8-10-24(11-9-23)31-14-16-35-17-15-31)28(33)13-7-22-6-12-25(26(18-22)34-4)36-20-21(2)3/h6-13,18,21H,5,14-17,19-20H2,1-4H3,(H,29,32).
What are the key properties of N-ethyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide?
N-ethyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide has a molecular weight of 495.62 g/mol, XLogP of 4.07, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 55342247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).