(E)-N-hexyl-3-[3-methoxy-4-(6-morpholin-4-yl-6-oxohexoxy)phenyl]prop-2-enamide

C26H40N2O5 — CID 21337225

IUPAC(E)-N-hexyl-3-[3-methoxy-4-(6-morpholin-4-yl-6-oxohexoxy)phenyl]prop-2-enamide
SMILESCCCCCCNC(=O)/C=C/c1ccc(OCCCCCC(=O)N2CCOCC2)c(OC)c1
InChIInChI=1S/C26H40N2O5/c1-3-4-5-8-15-27-25(29)14-12-22-11-13-23(24(21-22)31-2)33-18-9-6-7-10-26(30)28-16-19-32-20-17-28/h11-14,21H,3-10,15-20H2,1-2H3,(H,27,29)/b14-12+
InChIKeyGCCJPCZHJNQQIW-WYMLVPIESA-N
MW460.62 g/mol
LogP4.20
Rot. Bonds15

About (E)-N-hexyl-3-[3-methoxy-4-(6-morpholin-4-yl-6-oxohexoxy)phenyl]prop-2-enamide

(E)-N-hexyl-3-[3-methoxy-4-(6-morpholin-4-yl-6-oxohexoxy)phenyl]prop-2-enamide (PubChem CID 21337225) has the molecular formula C26H40N2O5 and a molecular weight of 460.62 g/mol. Its IUPAC name is (E)-N-hexyl-3-[3-methoxy-4-(6-morpholin-4-yl-6-oxohexoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hexyl-3-[3-methoxy-4-(6-morpholin-4-yl-6-oxohexoxy)phenyl]prop-2-enamide
PubChem CID21337225
Molecular FormulaC26H40N2O5
Molecular Weight460.62 g/mol
Exact Mass460.29
IUPAC Name(E)-N-hexyl-3-[3-methoxy-4-(6-morpholin-4-yl-6-oxohexoxy)phenyl]prop-2-enamide
SMILESCCCCCCNC(=O)/C=C/c1ccc(OCCCCCC(=O)N2CCOCC2)c(OC)c1
InChIInChI=1S/C26H40N2O5/c1-3-4-5-8-15-27-25(29)14-12-22-11-13-23(24(21-22)31-2)33-18-9-6-7-10-26(30)28-16-19-32-20-17-28/h11-14,21H,3-10,15-20H2,1-2H3,(H,27,29)/b14-12+
InChIKeyGCCJPCZHJNQQIW-WYMLVPIESA-N
XLogP4.20
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-hexadecylprop-2-enamide
CID 3419575
(E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide
CID 6075607
3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide
CID 3544026
(E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide
CID 52892563
(E)-3-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 2318345
2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 102534546
(E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)prop-2-enamide
CID 52609236
(E)-N-butan-2-yl-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 19172071
(E)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-pentylprop-2-enamide
CID 19176956
3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 3433146
(1E,4E)-1,5-bis[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]penta-1,4-dien-3-one
CID 127035896
(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 51181791

Frequently Asked Questions

What is the IUPAC name of (E)-N-hexyl-3-[3-methoxy-4-(6-morpholin-4-yl-6-oxohexoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hexyl-3-[3-methoxy-4-(6-morpholin-4-yl-6-oxohexoxy)phenyl]prop-2-enamide (CID 21337225) is (E)-N-hexyl-3-[3-methoxy-4-(6-morpholin-4-yl-6-oxohexoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hexyl-3-[3-methoxy-4-(6-morpholin-4-yl-6-oxohexoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hexyl-3-[3-methoxy-4-(6-morpholin-4-yl-6-oxohexoxy)phenyl]prop-2-enamide is CCCCCCNC(=O)/C=C/c1ccc(OCCCCCC(=O)N2CCOCC2)c(OC)c1.
What is the InChIKey of (E)-N-hexyl-3-[3-methoxy-4-(6-morpholin-4-yl-6-oxohexoxy)phenyl]prop-2-enamide?
The InChIKey is GCCJPCZHJNQQIW-WYMLVPIESA-N. The full InChI is InChI=1S/C26H40N2O5/c1-3-4-5-8-15-27-25(29)14-12-22-11-13-23(24(21-22)31-2)33-18-9-6-7-10-26(30)28-16-19-32-20-17-28/h11-14,21H,3-10,15-20H2,1-2H3,(H,27,29)/b14-12+.
What are the key properties of (E)-N-hexyl-3-[3-methoxy-4-(6-morpholin-4-yl-6-oxohexoxy)phenyl]prop-2-enamide?
(E)-N-hexyl-3-[3-methoxy-4-(6-morpholin-4-yl-6-oxohexoxy)phenyl]prop-2-enamide has a molecular weight of 460.62 g/mol, XLogP of 4.20, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hexyl-3-[3-methoxy-4-(6-morpholin-4-yl-6-oxohexoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 21337225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).