(Z)-2-acetamido-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide

C20H22N2O3 — CID 8767931

IUPAC(Z)-2-acetamido-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(NC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1
InChIInChI=1S/C20H22N2O3/c1-3-13-25-18-11-9-17(10-12-18)22-20(24)19(21-15(2)23)14-16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3,(H,21,23)(H,22,24)/b19-14-
InChIKeyOAGPZJOKBCGHNX-RGEXLXHISA-N
MW338.41 g/mol
LogP3.59
Rot. Bonds7

About (Z)-2-acetamido-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide

(Z)-2-acetamido-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide (PubChem CID 8767931) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (Z)-2-acetamido-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide
PubChem CID8767931
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(Z)-2-acetamido-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(NC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1
InChIInChI=1S/C20H22N2O3/c1-3-13-25-18-11-9-17(10-12-18)22-20(24)19(21-15(2)23)14-16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3,(H,21,23)(H,22,24)/b19-14-
InChIKeyOAGPZJOKBCGHNX-RGEXLXHISA-N
XLogP3.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-acetamido-N-[4-(2-ethoxyethoxy)phenyl]-3-phenylprop-2-enamide
CID 17130603
(Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 5371270
2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide
CID 3527723
4-butoxy-N-[(E)-3-(4-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 2257783
(E)-2-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide
CID 34033287
(Z)-2-acetamido-3-phenyl-N-(4-phenylphenyl)prop-2-enamide
CID 9206311
ethane;(E)-2-(4-hydroxyphenyl)-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide
CID 143804226
propyl (Z)-2-acetamido-3-phenylprop-2-enoate
CID 12635852
N-[3-(4-ethoxyanilino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 4300653
2-acetamido-N-[4-(3-methylbutoxy)phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 4949906
(E)-2-acetamido-N-[4-(3-methylbutoxy)phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 6235214
(2E)-2-benzylidene-N-(4-ethoxyphenyl)-3-oxobutanamide
CID 5387707

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-acetamido-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide (CID 8767931) is (Z)-2-acetamido-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide is CCCOc1ccc(NC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1.
What is the InChIKey of (Z)-2-acetamido-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide?
The InChIKey is OAGPZJOKBCGHNX-RGEXLXHISA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-13-25-18-11-9-17(10-12-18)22-20(24)19(21-15(2)23)14-16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3,(H,21,23)(H,22,24)/b19-14-.
What are the key properties of (Z)-2-acetamido-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide?
(Z)-2-acetamido-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide has a molecular weight of 338.41 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 8767931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).