(E)-2-acetamido-N-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylprop-2-enamide

C23H22N2O3 — CID 101112904

IUPAC(E)-2-acetamido-N-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCOc1ccc(CNC(=O)/C(=C\c2cccc3ccccc23)NC(C)=O)cc1
InChIInChI=1S/C23H22N2O3/c1-16(26)25-22(14-19-8-5-7-18-6-3-4-9-21(18)19)23(27)24-15-17-10-12-20(28-2)13-11-17/h3-14H,15H2,1-2H3,(H,24,27)(H,25,26)/b22-14+
InChIKeySEYPQEPIRGHURA-HYARGMPZSA-N
MW374.44 g/mol
LogP3.64
Rot. Bonds6

About (E)-2-acetamido-N-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylprop-2-enamide

(E)-2-acetamido-N-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylprop-2-enamide (PubChem CID 101112904) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is (E)-2-acetamido-N-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-acetamido-N-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylprop-2-enamide
PubChem CID101112904
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name(E)-2-acetamido-N-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCOc1ccc(CNC(=O)/C(=C\c2cccc3ccccc23)NC(C)=O)cc1
InChIInChI=1S/C23H22N2O3/c1-16(26)25-22(14-19-8-5-7-18-6-3-4-9-21(18)19)23(27)24-15-17-10-12-20(28-2)13-11-17/h3-14H,15H2,1-2H3,(H,24,27)(H,25,26)/b22-14+
InChIKeySEYPQEPIRGHURA-HYARGMPZSA-N
XLogP3.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.64
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

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 2610443
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284870
(E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide
CID 134086963
(Z)-2-acetamido-3-phenyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]prop-2-enamide
CID 34501494
N-[(E)-1-(4-methoxyphenyl)-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]benzamide
CID 1345628
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
(Z)-2-cyano-3-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 124626592
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
(Z)-2-acetamido-N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide
CID 46762320
N-[(E)-3-(benzylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
CID 1316968
N'-[(4-methoxyphenyl)methyl]oxamide
CID 2243752
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773

Frequently Asked Questions

What is the IUPAC name of (E)-2-acetamido-N-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-2-acetamido-N-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylprop-2-enamide (CID 101112904) is (E)-2-acetamido-N-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-2-acetamido-N-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-2-acetamido-N-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylprop-2-enamide is COc1ccc(CNC(=O)/C(=C\c2cccc3ccccc23)NC(C)=O)cc1.
What is the InChIKey of (E)-2-acetamido-N-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is SEYPQEPIRGHURA-HYARGMPZSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-16(26)25-22(14-19-8-5-7-18-6-3-4-9-21(18)19)23(27)24-15-17-10-12-20(28-2)13-11-17/h3-14H,15H2,1-2H3,(H,24,27)(H,25,26)/b22-14+.
What are the key properties of (E)-2-acetamido-N-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylprop-2-enamide?
(E)-2-acetamido-N-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 374.44 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-acetamido-N-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 101112904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).