ethyl (E)-3-[4-(naphthalene-1-carbonylamino)phenyl]prop-2-enoate

C22H19NO3 — CID 27902050

IUPACethyl (E)-3-[4-(naphthalene-1-carbonylamino)phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(NC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H19NO3/c1-2-26-21(24)15-12-16-10-13-18(14-11-16)23-22(25)20-9-5-7-17-6-3-4-8-19(17)20/h3-15H,2H2,1H3,(H,23,25)/b15-12+
InChIKeyVSOYHZMIVCAFDE-NTCAYCPXSA-N
MW345.40 g/mol
LogP4.67
Rot. Bonds5

About ethyl (E)-3-[4-(naphthalene-1-carbonylamino)phenyl]prop-2-enoate

ethyl (E)-3-[4-(naphthalene-1-carbonylamino)phenyl]prop-2-enoate (PubChem CID 27902050) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl (E)-3-[4-(naphthalene-1-carbonylamino)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[4-(naphthalene-1-carbonylamino)phenyl]prop-2-enoate
PubChem CID27902050
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Nameethyl (E)-3-[4-(naphthalene-1-carbonylamino)phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(NC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H19NO3/c1-2-26-21(24)15-12-16-10-13-18(14-11-16)23-22(25)20-9-5-7-17-6-3-4-8-19(17)20/h3-15H,2H2,1H3,(H,23,25)/b15-12+
InChIKeyVSOYHZMIVCAFDE-NTCAYCPXSA-N
XLogP4.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-phenylethenyl)phenyl]naphthalene-1-carboxamide
CID 23853473
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CID 94136409
ethyl (E)-3-[4-[(3-acetamidobenzoyl)amino]phenyl]prop-2-enoate
CID 27902085
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CID 55759537
ethyl (E)-3-[4-[(2,4-dichlorobenzoyl)amino]phenyl]prop-2-enoate
CID 27054357
ethyl (E)-3-[4-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]phenyl]prop-2-enoate
CID 27902250
ethyl (E)-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]prop-2-enoate
CID 27902551
ethyl (E)-3-[4-[(5-fluoro-2-methoxybenzoyl)amino]phenyl]prop-2-enoate
CID 31146550
ethyl (E)-3-[4-(3-indol-1-ylpropanoylamino)phenyl]prop-2-enoate
CID 27054675
ethyl (E)-3-[4-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoate
CID 27054734
ethyl 3-[4-[(2-methyl-2-phenylpropanoyl)amino]phenyl]prop-2-enoate
CID 74542837
ethyl (E)-3-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]prop-2-enoate
CID 27901978

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[4-(naphthalene-1-carbonylamino)phenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[4-(naphthalene-1-carbonylamino)phenyl]prop-2-enoate (CID 27902050) is ethyl (E)-3-[4-(naphthalene-1-carbonylamino)phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[4-(naphthalene-1-carbonylamino)phenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[4-(naphthalene-1-carbonylamino)phenyl]prop-2-enoate is CCOC(=O)/C=C/c1ccc(NC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of ethyl (E)-3-[4-(naphthalene-1-carbonylamino)phenyl]prop-2-enoate?
The InChIKey is VSOYHZMIVCAFDE-NTCAYCPXSA-N. The full InChI is InChI=1S/C22H19NO3/c1-2-26-21(24)15-12-16-10-13-18(14-11-16)23-22(25)20-9-5-7-17-6-3-4-8-19(17)20/h3-15H,2H2,1H3,(H,23,25)/b15-12+.
What are the key properties of ethyl (E)-3-[4-(naphthalene-1-carbonylamino)phenyl]prop-2-enoate?
ethyl (E)-3-[4-(naphthalene-1-carbonylamino)phenyl]prop-2-enoate has a molecular weight of 345.40 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[4-(naphthalene-1-carbonylamino)phenyl]prop-2-enoate is sourced from PubChem (CID 27902050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).