(Z)-2-acetamido-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-3-[4-(hydroxymethyl)phenyl]prop-2-enamide

C27H27N3O4 — CID 156679976

IUPAC(Z)-2-acetamido-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-3-[4-(hydroxymethyl)phenyl]prop-2-enamide
SMILESCC(=O)N/C(=C\c1ccc(CO)cc1)C(=O)Nc1ccc(CC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C27H27N3O4/c1-19(32)29-25(15-20-7-9-23(18-31)10-8-20)27(34)30-24-13-11-21(12-14-24)16-26(33)28-17-22-5-3-2-4-6-22/h2-15,31H,16-18H2,1H3,(H,28,33)(H,29,32)(H,30,34)/b25-15-
InChIKeyHYUCMGMIKPTMNC-MYYYXRDXSA-N
MW457.53 g/mol
LogP3.15
Rot. Bonds9

About (Z)-2-acetamido-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-3-[4-(hydroxymethyl)phenyl]prop-2-enamide

(Z)-2-acetamido-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-3-[4-(hydroxymethyl)phenyl]prop-2-enamide (PubChem CID 156679976) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is (Z)-2-acetamido-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-3-[4-(hydroxymethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-3-[4-(hydroxymethyl)phenyl]prop-2-enamide
PubChem CID156679976
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC Name(Z)-2-acetamido-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-3-[4-(hydroxymethyl)phenyl]prop-2-enamide
SMILESCC(=O)N/C(=C\c1ccc(CO)cc1)C(=O)Nc1ccc(CC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C27H27N3O4/c1-19(32)29-25(15-20-7-9-23(18-31)10-8-20)27(34)30-24-13-11-21(12-14-24)16-26(33)28-17-22-5-3-2-4-6-22/h2-15,31H,16-18H2,1H3,(H,28,33)(H,29,32)(H,30,34)/b25-15-
InChIKeyHYUCMGMIKPTMNC-MYYYXRDXSA-N
XLogP3.15
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-2-acetamido-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-3-[4-(hydroxymethyl)phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-acetamido-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 155322588
2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide
CID 3527723
N-[1-(4-chlorophenyl)-3-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]anilino]-3-oxoprop-1-en-2-yl]benzamide
CID 155299241
(Z)-2-acetamido-3-phenyl-N-(4-phenylphenyl)prop-2-enamide
CID 9206311
N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-2-oxo-2-phenylacetamide
CID 139864247
N-[(E)-3-[4-[2-(benzylamino)-2-oxoethyl]anilino]-1-(4-fluoro-2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 155299223
(Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 5371270
[2-(benzylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284841
(Z)-2-acetamido-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide
CID 8767931
(Z)-3-(4-acetamidophenyl)-N-benzyl-2-cyanoprop-2-enamide
CID 2382425
(E)-2-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide
CID 34033287
N-[(Z)-3-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide
CID 8942207

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-3-[4-(hydroxymethyl)phenyl]prop-2-enamide?
The IUPAC name of (Z)-2-acetamido-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-3-[4-(hydroxymethyl)phenyl]prop-2-enamide (CID 156679976) is (Z)-2-acetamido-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-3-[4-(hydroxymethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-3-[4-(hydroxymethyl)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-3-[4-(hydroxymethyl)phenyl]prop-2-enamide is CC(=O)N/C(=C\c1ccc(CO)cc1)C(=O)Nc1ccc(CC(=O)NCc2ccccc2)cc1.
What is the InChIKey of (Z)-2-acetamido-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-3-[4-(hydroxymethyl)phenyl]prop-2-enamide?
The InChIKey is HYUCMGMIKPTMNC-MYYYXRDXSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-19(32)29-25(15-20-7-9-23(18-31)10-8-20)27(34)30-24-13-11-21(12-14-24)16-26(33)28-17-22-5-3-2-4-6-22/h2-15,31H,16-18H2,1H3,(H,28,33)(H,29,32)(H,30,34)/b25-15-.
What are the key properties of (Z)-2-acetamido-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-3-[4-(hydroxymethyl)phenyl]prop-2-enamide?
(Z)-2-acetamido-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-3-[4-(hydroxymethyl)phenyl]prop-2-enamide has a molecular weight of 457.53 g/mol, XLogP of 3.15, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-3-[4-(hydroxymethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 156679976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).