methyl 3-[4-(naphthalene-2-carbonylamino)phenyl]prop-2-enoate

C21H17NO3 — CID 66958345

IUPACmethyl 3-[4-(naphthalene-2-carbonylamino)phenyl]prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H17NO3/c1-25-20(23)13-8-15-6-11-19(12-7-15)22-21(24)18-10-9-16-4-2-3-5-17(16)14-18/h2-14H,1H3,(H,22,24)
InChIKeyANCNRNNHTLMDEO-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.28
Rot. Bonds4

About methyl 3-[4-(naphthalene-2-carbonylamino)phenyl]prop-2-enoate

methyl 3-[4-(naphthalene-2-carbonylamino)phenyl]prop-2-enoate (PubChem CID 66958345) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is methyl 3-[4-(naphthalene-2-carbonylamino)phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[4-(naphthalene-2-carbonylamino)phenyl]prop-2-enoate
PubChem CID66958345
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Namemethyl 3-[4-(naphthalene-2-carbonylamino)phenyl]prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H17NO3/c1-25-20(23)13-8-15-6-11-19(12-7-15)22-21(24)18-10-9-16-4-2-3-5-17(16)14-18/h2-14H,1H3,(H,22,24)
InChIKeyANCNRNNHTLMDEO-UHFFFAOYSA-N
XLogP4.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.28
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-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-(4-formylphenyl)naphthalene-2-carboxamide
CID 87842384
methyl (E)-3-anthracen-2-ylprop-2-enoate
CID 87861616
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 886279
(E)-1-naphthalen-2-yl-3-[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 10939059
6-methoxy-N-[4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57392645
methyl 3-[[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]carbamoyl]benzoate
CID 55759537
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
N-(3,4,5-trimethoxyphenyl)naphthalene-2-carboxamide
CID 7741667
N-[4-[[3-(4-methoxyphenyl)prop-2-enoylamino]carbamoyl]phenyl]-3-methylbenzamide
CID 3316450

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(naphthalene-2-carbonylamino)phenyl]prop-2-enoate?
The IUPAC name of methyl 3-[4-(naphthalene-2-carbonylamino)phenyl]prop-2-enoate (CID 66958345) is methyl 3-[4-(naphthalene-2-carbonylamino)phenyl]prop-2-enoate.
What is the SMILES notation for methyl 3-[4-(naphthalene-2-carbonylamino)phenyl]prop-2-enoate?
The canonical SMILES for methyl 3-[4-(naphthalene-2-carbonylamino)phenyl]prop-2-enoate is COC(=O)C=Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of methyl 3-[4-(naphthalene-2-carbonylamino)phenyl]prop-2-enoate?
The InChIKey is ANCNRNNHTLMDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-25-20(23)13-8-15-6-11-19(12-7-15)22-21(24)18-10-9-16-4-2-3-5-17(16)14-18/h2-14H,1H3,(H,22,24).
What are the key properties of methyl 3-[4-(naphthalene-2-carbonylamino)phenyl]prop-2-enoate?
methyl 3-[4-(naphthalene-2-carbonylamino)phenyl]prop-2-enoate has a molecular weight of 331.37 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(naphthalene-2-carbonylamino)phenyl]prop-2-enoate is sourced from PubChem (CID 66958345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).