(E)-3-(4-acetamidophenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]prop-2-enamide

C23H28N2O4 — CID 39588594

IUPAC(E)-3-(4-acetamidophenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]prop-2-enamide
SMILESCCOCCOCc1cccc(CNC(=O)/C=C/c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C23H28N2O4/c1-3-28-13-14-29-17-21-6-4-5-20(15-21)16-24-23(27)12-9-19-7-10-22(11-8-19)25-18(2)26/h4-12,15H,3,13-14,16-17H2,1-2H3,(H,24,27)(H,25,26)/b12-9+
InChIKeyCINDHAWNIMBVOU-FMIVXFBMSA-N
MW396.49 g/mol
LogP3.53
Rot. Bonds11

About (E)-3-(4-acetamidophenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]prop-2-enamide

(E)-3-(4-acetamidophenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]prop-2-enamide (PubChem CID 39588594) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is (E)-3-(4-acetamidophenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-acetamidophenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]prop-2-enamide
PubChem CID39588594
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name(E)-3-(4-acetamidophenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]prop-2-enamide
SMILESCCOCCOCc1cccc(CNC(=O)/C=C/c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C23H28N2O4/c1-3-28-13-14-29-17-21-6-4-5-20(15-21)16-24-23(27)12-9-19-7-10-22(11-8-19)25-18(2)26/h4-12,15H,3,13-14,16-17H2,1-2H3,(H,24,27)(H,25,26)/b12-9+
InChIKeyCINDHAWNIMBVOU-FMIVXFBMSA-N
XLogP3.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(E)-3-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]prop-2-enamide
CID 51333626
(E)-N-[(3-acetamidophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 39572660
(E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]prop-2-enamide
CID 39587016
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide
CID 76868296
3-(4-methoxyphenyl)-N-[[3-[[3-(4-methoxyphenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 1011377
(E)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide
CID 60556449
3-(3,4-dichlorophenyl)-N-[[3-[[3-(3,4-dichlorophenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 3261410
(E)-N-[(3-acetamidophenyl)methyl]-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide
CID 39573134
(E)-N-[(4-acetamidophenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 32859165
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide
CID 39590517
(E)-3-(4-acetamidophenyl)-N-(3-butoxypropyl)prop-2-enamide
CID 31255727
(2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119289195

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-acetamidophenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-acetamidophenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]prop-2-enamide (CID 39588594) is (E)-3-(4-acetamidophenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-acetamidophenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-acetamidophenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]prop-2-enamide is CCOCCOCc1cccc(CNC(=O)/C=C/c2ccc(NC(C)=O)cc2)c1.
What is the InChIKey of (E)-3-(4-acetamidophenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]prop-2-enamide?
The InChIKey is CINDHAWNIMBVOU-FMIVXFBMSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-3-28-13-14-29-17-21-6-4-5-20(15-21)16-24-23(27)12-9-19-7-10-22(11-8-19)25-18(2)26/h4-12,15H,3,13-14,16-17H2,1-2H3,(H,24,27)(H,25,26)/b12-9+.
What are the key properties of (E)-3-(4-acetamidophenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]prop-2-enamide?
(E)-3-(4-acetamidophenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]prop-2-enamide has a molecular weight of 396.49 g/mol, XLogP of 3.53, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-acetamidophenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 39588594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).