N-propan-2-yl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]acetamide

C23H27NO6 — CID 10916657

IUPACN-propan-2-yl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]acetamide
SMILESCOc1cc(/C=C/C(=O)c2ccc(OCC(=O)NC(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C23H27NO6/c1-15(2)24-22(26)14-30-18-9-7-17(8-10-18)19(25)11-6-16-12-20(27-3)23(29-5)21(13-16)28-4/h6-13,15H,14H2,1-5H3,(H,24,26)/b11-6+
InChIKeyISYREDUHPJRHKC-IZZDOVSWSA-N
MW413.47 g/mol
LogP3.51
Rot. Bonds10

About N-propan-2-yl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]acetamide

N-propan-2-yl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]acetamide (PubChem CID 10916657) has the molecular formula C23H27NO6 and a molecular weight of 413.47 g/mol. Its IUPAC name is N-propan-2-yl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]acetamide
PubChem CID10916657
Molecular FormulaC23H27NO6
Molecular Weight413.47 g/mol
Exact Mass413.18
IUPAC NameN-propan-2-yl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]acetamide
SMILESCOc1cc(/C=C/C(=O)c2ccc(OCC(=O)NC(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C23H27NO6/c1-15(2)24-22(26)14-30-18-9-7-17(8-10-18)19(25)11-6-16-12-20(27-3)23(29-5)21(13-16)28-4/h6-13,15H,14H2,1-5H3,(H,24,26)/b11-6+
InChIKeyISYREDUHPJRHKC-IZZDOVSWSA-N
XLogP3.51
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4,5-trimethoxyphenyl)-1-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 71835462
(E)-1-[4-[(E)-pent-3-en-2-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 70018708
(E)-3-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 5379234
(E)-1-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 7515639
3-(4-propoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 4796353
[4-[(E)-3-(4-methoxycarbonylphenyl)prop-2-enoyl]phenyl] 3,4,5-trimethoxybenzoate
CID 6125448
3,4-dimethoxy-N-[(E)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]benzamide
CID 94833106
2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]ethyl pyrrolidine-1-carbodithioate
CID 155557926
methyl 2-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate
CID 9067372
(E)-1-(4-methoxy-3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 10712323
CID 70588806
CID 70588806
sodium;hydride;2-[4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenoxy]acetic acid
CID 173442694

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]acetamide?
The IUPAC name of N-propan-2-yl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]acetamide (CID 10916657) is N-propan-2-yl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]acetamide?
The canonical SMILES for N-propan-2-yl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]acetamide is COc1cc(/C=C/C(=O)c2ccc(OCC(=O)NC(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of N-propan-2-yl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]acetamide?
The InChIKey is ISYREDUHPJRHKC-IZZDOVSWSA-N. The full InChI is InChI=1S/C23H27NO6/c1-15(2)24-22(26)14-30-18-9-7-17(8-10-18)19(25)11-6-16-12-20(27-3)23(29-5)21(13-16)28-4/h6-13,15H,14H2,1-5H3,(H,24,26)/b11-6+.
What are the key properties of N-propan-2-yl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]acetamide?
N-propan-2-yl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]acetamide has a molecular weight of 413.47 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]acetamide is sourced from PubChem (CID 10916657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).