(E)-N-[(3-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-methylprop-2-enamide

C22H27NO4 — CID 29251286

IUPAC(E)-N-[(3-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-methylprop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)N(C)Cc2cccc(OC)c2)cc1OC
InChIInChI=1S/C22H27NO4/c1-5-13-27-20-11-9-17(15-21(20)26-4)10-12-22(24)23(2)16-18-7-6-8-19(14-18)25-3/h6-12,14-15H,5,13,16H2,1-4H3/b12-10+
InChIKeyIPYGREDOTURRJM-ZRDIBKRKSA-N
MW369.46 g/mol
LogP4.16
Rot. Bonds9

About (E)-N-[(3-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-methylprop-2-enamide

(E)-N-[(3-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-methylprop-2-enamide (PubChem CID 29251286) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is (E)-N-[(3-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-methylprop-2-enamide
PubChem CID29251286
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name(E)-N-[(3-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-methylprop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)N(C)Cc2cccc(OC)c2)cc1OC
InChIInChI=1S/C22H27NO4/c1-5-13-27-20-11-9-17(15-21(20)26-4)10-12-22(24)23(2)16-18-7-6-8-19(14-18)25-3/h6-12,14-15H,5,13,16H2,1-4H3/b12-10+
InChIKeyIPYGREDOTURRJM-ZRDIBKRKSA-N
XLogP4.16
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 30798112
N-benzyl-3-(4-ethoxy-3-methoxyphenyl)-N-methylprop-2-enamide
CID 719551
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[(3-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 30798114
(E)-N-[(4-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 55919224
3-(4-butoxy-3-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 75981223
(E)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-ethoxy-4-propoxyphenyl)-N-methylprop-2-enamide
CID 55371994
(E)-N-benzyl-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-methylprop-2-enamide
CID 26534654
(E)-N-[(3-ethoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 98812303
3-(4-ethoxy-3-methoxyphenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide
CID 76856794
(E)-3-(3-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 2450532
(E)-N-[2-(3-fluoroanilino)-2-oxoethyl]-3-(3-methoxy-4-propoxyphenyl)-N-methylprop-2-enamide
CID 9439176
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 8960830

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-N-[(3-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-methylprop-2-enamide (CID 29251286) is (E)-N-[(3-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-[(3-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-[(3-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-methylprop-2-enamide is CCCOc1ccc(/C=C/C(=O)N(C)Cc2cccc(OC)c2)cc1OC.
What is the InChIKey of (E)-N-[(3-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-methylprop-2-enamide?
The InChIKey is IPYGREDOTURRJM-ZRDIBKRKSA-N. The full InChI is InChI=1S/C22H27NO4/c1-5-13-27-20-11-9-17(15-21(20)26-4)10-12-22(24)23(2)16-18-7-6-8-19(14-18)25-3/h6-12,14-15H,5,13,16H2,1-4H3/b12-10+.
What are the key properties of (E)-N-[(3-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-methylprop-2-enamide?
(E)-N-[(3-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-methylprop-2-enamide has a molecular weight of 369.46 g/mol, XLogP of 4.16, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 29251286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).