[(Z)-[3-[(4-ethylphenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino] acetate

C21H20N2O5 — CID 53338143

IUPAC[(Z)-[3-[(4-ethylphenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino] acetate
SMILESCCc1ccc(NC(=O)c2cc3cccc(OC)c3o/c2=N\OC(C)=O)cc1
InChIInChI=1S/C21H20N2O5/c1-4-14-8-10-16(11-9-14)22-20(25)17-12-15-6-5-7-18(26-3)19(15)27-21(17)23-28-13(2)24/h5-12H,4H2,1-3H3,(H,22,25)/b23-21-
InChIKeyRVLNXOKELMLMDE-LNVKXUELSA-N
MW380.40 g/mol
LogP3.63
Rot. Bonds5

About [(Z)-[3-[(4-ethylphenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino] acetate

[(Z)-[3-[(4-ethylphenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino] acetate (PubChem CID 53338143) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is [(Z)-[3-[(4-ethylphenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino] acetate.

Molecular Properties

Compound Name[(Z)-[3-[(4-ethylphenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino] acetate
PubChem CID53338143
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name[(Z)-[3-[(4-ethylphenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino] acetate
SMILESCCc1ccc(NC(=O)c2cc3cccc(OC)c3o/c2=N\OC(C)=O)cc1
InChIInChI=1S/C21H20N2O5/c1-4-14-8-10-16(11-9-14)22-20(25)17-12-15-6-5-7-18(26-3)19(15)27-21(17)23-28-13(2)24/h5-12H,4H2,1-3H3,(H,22,25)/b23-21-
InChIKeyRVLNXOKELMLMDE-LNVKXUELSA-N
XLogP3.63
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-N-(4-chlorophenyl)-2-hydroxyimino-8-methoxychromene-3-carboxamide
CID 5403929
N-(4-ethylphenyl)-2,6-dimethoxybenzamide
CID 596670
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-methoxy-2-oxochromene-3-carboxamide
CID 43973904
4-[[3-[(3,4-dimethoxyphenyl)carbamoyl]-8-ethoxychromen-2-ylidene]amino]benzoate
CID 4078534
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
7-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 92643170
8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
CID 2136071
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78900619
N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 133178584
N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002
(2E)-2-[(2,5-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(4-ethylphenyl)chromene-3-carboxamide
CID 92693533
7-methoxy-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 40888598

Frequently Asked Questions

What is the IUPAC name of [(Z)-[3-[(4-ethylphenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino] acetate?
The IUPAC name of [(Z)-[3-[(4-ethylphenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino] acetate (CID 53338143) is [(Z)-[3-[(4-ethylphenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino] acetate.
What is the SMILES notation for [(Z)-[3-[(4-ethylphenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino] acetate?
The canonical SMILES for [(Z)-[3-[(4-ethylphenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino] acetate is CCc1ccc(NC(=O)c2cc3cccc(OC)c3o/c2=N\OC(C)=O)cc1.
What is the InChIKey of [(Z)-[3-[(4-ethylphenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino] acetate?
The InChIKey is RVLNXOKELMLMDE-LNVKXUELSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-4-14-8-10-16(11-9-14)22-20(25)17-12-15-6-5-7-18(26-3)19(15)27-21(17)23-28-13(2)24/h5-12H,4H2,1-3H3,(H,22,25)/b23-21-.
What are the key properties of [(Z)-[3-[(4-ethylphenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino] acetate?
[(Z)-[3-[(4-ethylphenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino] acetate has a molecular weight of 380.40 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[3-[(4-ethylphenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino] acetate is sourced from PubChem (CID 53338143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).