(2Z)-2-cyano-2-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]acetamide

C20H16N2O3 — CID 6211948

IUPAC(2Z)-2-cyano-2-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]acetamide
SMILESCOc1ccc(C2=C/C(=C(\C#N)C(N)=O)c3cc(C)ccc3O2)cc1
InChIInChI=1S/C20H16N2O3/c1-12-3-8-18-16(9-12)15(17(11-21)20(22)23)10-19(25-18)13-4-6-14(24-2)7-5-13/h3-10H,1-2H3,(H2,22,23)/b17-15-
InChIKeyPLSMPKFTPQEVON-ICFOKQHNSA-N
MW332.36 g/mol
LogP3.20
Rot. Bonds3

About (2Z)-2-cyano-2-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]acetamide

(2Z)-2-cyano-2-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]acetamide (PubChem CID 6211948) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-2-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]acetamide
PubChem CID6211948
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name(2Z)-2-cyano-2-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]acetamide
SMILESCOc1ccc(C2=C/C(=C(\C#N)C(N)=O)c3cc(C)ccc3O2)cc1
InChIInChI=1S/C20H16N2O3/c1-12-3-8-18-16(9-12)15(17(11-21)20(22)23)10-19(25-18)13-4-6-14(24-2)7-5-13/h3-10H,1-2H3,(H2,22,23)/b17-15-
InChIKeyPLSMPKFTPQEVON-ICFOKQHNSA-N
XLogP3.20
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E)-2-cyano-2-[2-(diethylamino)-7-methoxychromen-4-ylidene]acetate
CID 12748915
3-(1-ethoxypropylidene)-5-(4-methoxyphenyl)furan-2-one
CID 71384800
(2E)-2-(7-methoxy-2-phenylchromen-4-ylidene)-1,2-diphenylethanone
CID 134868316
2-[2-(4-methoxyphenyl)chromen-4-ylidene]indene-1,3-dione
CID 132568688
2-[6-chloro-2-(4-methoxyphenyl)chromen-4-ylidene]indene-1,3-dione
CID 132568694
1-(113C)methoxy-4-methylbenzene
CID 166176950
2-[(E)-[6-methoxy-2-(4-methylphenyl)chromen-4-ylidene]methyl]-3-methyl-1,3-benzothiazol-3-ium
CID 7731914
2-(4-methoxyphenyl)-5-methylindol-3-one
CID 163409631
2-cyano-3-(4-methoxyphenyl)but-2-enamide
CID 5153465
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
2-(4-methoxyphenyl)-6-methylnaphthalene
CID 15099897
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-2-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]acetamide?
The IUPAC name of (2Z)-2-cyano-2-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]acetamide (CID 6211948) is (2Z)-2-cyano-2-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]acetamide.
What is the SMILES notation for (2Z)-2-cyano-2-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]acetamide?
The canonical SMILES for (2Z)-2-cyano-2-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]acetamide is COc1ccc(C2=C/C(=C(\C#N)C(N)=O)c3cc(C)ccc3O2)cc1.
What is the InChIKey of (2Z)-2-cyano-2-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]acetamide?
The InChIKey is PLSMPKFTPQEVON-ICFOKQHNSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-12-3-8-18-16(9-12)15(17(11-21)20(22)23)10-19(25-18)13-4-6-14(24-2)7-5-13/h3-10H,1-2H3,(H2,22,23)/b17-15-.
What are the key properties of (2Z)-2-cyano-2-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]acetamide?
(2Z)-2-cyano-2-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]acetamide has a molecular weight of 332.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-2-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]acetamide is sourced from PubChem (CID 6211948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).