(Z)-2-acetamido-N-[4-(2-ethoxyethoxy)phenyl]-3-phenylprop-2-enamide

C21H24N2O4 — CID 17130603

IUPAC(Z)-2-acetamido-N-[4-(2-ethoxyethoxy)phenyl]-3-phenylprop-2-enamide
SMILESCCOCCOc1ccc(NC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1
InChIInChI=1S/C21H24N2O4/c1-3-26-13-14-27-19-11-9-18(10-12-19)23-21(25)20(22-16(2)24)15-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H,22,24)(H,23,25)/b20-15-
InChIKeyXSVPSPAPHXZJMI-HKWRFOASSA-N
MW368.43 g/mol
LogP3.22
Rot. Bonds9

About (Z)-2-acetamido-N-[4-(2-ethoxyethoxy)phenyl]-3-phenylprop-2-enamide

(Z)-2-acetamido-N-[4-(2-ethoxyethoxy)phenyl]-3-phenylprop-2-enamide (PubChem CID 17130603) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (Z)-2-acetamido-N-[4-(2-ethoxyethoxy)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-N-[4-(2-ethoxyethoxy)phenyl]-3-phenylprop-2-enamide
PubChem CID17130603
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(Z)-2-acetamido-N-[4-(2-ethoxyethoxy)phenyl]-3-phenylprop-2-enamide
SMILESCCOCCOc1ccc(NC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1
InChIInChI=1S/C21H24N2O4/c1-3-26-13-14-27-19-11-9-18(10-12-19)23-21(25)20(22-16(2)24)15-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H,22,24)(H,23,25)/b20-15-
InChIKeyXSVPSPAPHXZJMI-HKWRFOASSA-N
XLogP3.22
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.22
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

(Z)-2-acetamido-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide
CID 8767931
(Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 5371270
2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide
CID 3527723
(E)-2-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide
CID 34033287
N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide
CID 54301804
(Z)-2-acetamido-3-phenyl-N-(4-phenylphenyl)prop-2-enamide
CID 9206311
4-butoxy-N-[(E)-3-(4-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 2257783
N-[3-(4-bromoanilino)-1-(4-ethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 3735043
(2E)-2-benzylidene-N-(4-ethoxyphenyl)-3-oxobutanamide
CID 5387707
N-[3-(4-ethoxyanilino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 4300653
N-(4-benzamidophenyl)-4-(2-ethoxyethoxy)benzamide
CID 17235471
N-[3-(4-ethoxyanilino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5167576

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-N-[4-(2-ethoxyethoxy)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-2-acetamido-N-[4-(2-ethoxyethoxy)phenyl]-3-phenylprop-2-enamide (CID 17130603) is (Z)-2-acetamido-N-[4-(2-ethoxyethoxy)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-N-[4-(2-ethoxyethoxy)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-N-[4-(2-ethoxyethoxy)phenyl]-3-phenylprop-2-enamide is CCOCCOc1ccc(NC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1.
What is the InChIKey of (Z)-2-acetamido-N-[4-(2-ethoxyethoxy)phenyl]-3-phenylprop-2-enamide?
The InChIKey is XSVPSPAPHXZJMI-HKWRFOASSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-26-13-14-27-19-11-9-18(10-12-19)23-21(25)20(22-16(2)24)15-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H,22,24)(H,23,25)/b20-15-.
What are the key properties of (Z)-2-acetamido-N-[4-(2-ethoxyethoxy)phenyl]-3-phenylprop-2-enamide?
(Z)-2-acetamido-N-[4-(2-ethoxyethoxy)phenyl]-3-phenylprop-2-enamide has a molecular weight of 368.43 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-N-[4-(2-ethoxyethoxy)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 17130603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).