N-[3-[(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]phenyl]acetamide

C23H27NO4 — CID 8858895

IUPACN-[3-[(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]phenyl]acetamide
SMILESCCOc1cc(/C=C/C(=O)c2cccc(NC(C)=O)c2)ccc1OCC(C)C
InChIInChI=1S/C23H27NO4/c1-5-27-23-13-18(10-12-22(23)28-15-16(2)3)9-11-21(26)19-7-6-8-20(14-19)24-17(4)25/h6-14,16H,5,15H2,1-4H3,(H,24,25)/b11-9+
InChIKeyMIBZZSGBEHJQLG-PKNBQFBNSA-N
MW381.47 g/mol
LogP4.97
Rot. Bonds9

About N-[3-[(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]phenyl]acetamide

N-[3-[(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]phenyl]acetamide (PubChem CID 8858895) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is N-[3-[(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]phenyl]acetamide
PubChem CID8858895
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC NameN-[3-[(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]phenyl]acetamide
SMILESCCOc1cc(/C=C/C(=O)c2cccc(NC(C)=O)c2)ccc1OCC(C)C
InChIInChI=1S/C23H27NO4/c1-5-27-23-13-18(10-12-22(23)28-15-16(2)3)9-11-21(26)19-7-6-8-20(14-19)24-17(4)25/h6-14,16H,5,15H2,1-4H3,(H,24,25)/b11-9+
InChIKeyMIBZZSGBEHJQLG-PKNBQFBNSA-N
XLogP4.97
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858757
N-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 9095687
N-[3-[(Z)-3-[4-[(Z)-3-(3-acetamidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]acetamide
CID 21159287
N,N-diethyl-3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzamide
CID 26712530
(E)-N-(3-acetylphenyl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enamide
CID 2071597
3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 51152920
N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858788
N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 2549012
(E)-3-(3-ethoxy-4-propoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one
CID 9448246
N-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858697
(2S)-2-[4-[(E)-3-(3-chlorophenyl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N,N-dimethylpropanamide
CID 8858106
N-[3-[(E)-3-(3-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858974

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]phenyl]acetamide?
The IUPAC name of N-[3-[(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]phenyl]acetamide (CID 8858895) is N-[3-[(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]phenyl]acetamide is CCOc1cc(/C=C/C(=O)c2cccc(NC(C)=O)c2)ccc1OCC(C)C.
What is the InChIKey of N-[3-[(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]phenyl]acetamide?
The InChIKey is MIBZZSGBEHJQLG-PKNBQFBNSA-N. The full InChI is InChI=1S/C23H27NO4/c1-5-27-23-13-18(10-12-22(23)28-15-16(2)3)9-11-21(26)19-7-6-8-20(14-19)24-17(4)25/h6-14,16H,5,15H2,1-4H3,(H,24,25)/b11-9+.
What are the key properties of N-[3-[(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]phenyl]acetamide?
N-[3-[(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]phenyl]acetamide has a molecular weight of 381.47 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]phenyl]acetamide is sourced from PubChem (CID 8858895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).