(E)-N-(4-methoxyphenyl)-3-[8-(3-methoxyphenyl)-2,2-dimethylchromen-6-yl]prop-2-enamide

C28H27NO4 — CID 168864585

IUPAC(E)-N-(4-methoxyphenyl)-3-[8-(3-methoxyphenyl)-2,2-dimethylchromen-6-yl]prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2cc3c(c(-c4cccc(OC)c4)c2)OC(C)(C)C=C3)cc1
InChIInChI=1S/C28H27NO4/c1-28(2)15-14-21-16-19(8-13-26(30)29-22-9-11-23(31-3)12-10-22)17-25(27(21)33-28)20-6-5-7-24(18-20)32-4/h5-18H,1-4H3,(H,29,30)/b13-8+
InChIKeyINNUKYXGAHAWDE-MDWZMJQESA-N
MW441.53 g/mol
LogP6.21
Rot. Bonds6

About (E)-N-(4-methoxyphenyl)-3-[8-(3-methoxyphenyl)-2,2-dimethylchromen-6-yl]prop-2-enamide

(E)-N-(4-methoxyphenyl)-3-[8-(3-methoxyphenyl)-2,2-dimethylchromen-6-yl]prop-2-enamide (PubChem CID 168864585) has the molecular formula C28H27NO4 and a molecular weight of 441.53 g/mol. Its IUPAC name is (E)-N-(4-methoxyphenyl)-3-[8-(3-methoxyphenyl)-2,2-dimethylchromen-6-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methoxyphenyl)-3-[8-(3-methoxyphenyl)-2,2-dimethylchromen-6-yl]prop-2-enamide
PubChem CID168864585
Molecular FormulaC28H27NO4
Molecular Weight441.53 g/mol
Exact Mass441.19
IUPAC Name(E)-N-(4-methoxyphenyl)-3-[8-(3-methoxyphenyl)-2,2-dimethylchromen-6-yl]prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2cc3c(c(-c4cccc(OC)c4)c2)OC(C)(C)C=C3)cc1
InChIInChI=1S/C28H27NO4/c1-28(2)15-14-21-16-19(8-13-26(30)29-22-9-11-23(31-3)12-10-22)17-25(27(21)33-28)20-6-5-7-24(18-20)32-4/h5-18H,1-4H3,(H,29,30)/b13-8+
InChIKeyINNUKYXGAHAWDE-MDWZMJQESA-N
XLogP6.21
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[2,2-dimethyl-8-[3-(trifluoromethyl)phenyl]chromen-6-yl]-N-(4-methoxyphenyl)prop-2-enamide
CID 168864607
(E)-N-(4-hydroxyphenyl)-3-[8-(4-methoxyphenyl)-2,2-dimethylchromen-6-yl]prop-2-enamide
CID 168864587
(E)-N-(4-methoxyphenyl)-3-[8-(6-methoxy-3-pyridinyl)-2,2-dimethylchromen-6-yl]prop-2-enamide
CID 168864594
3-(2,2-dimethyl-8-pyridin-3-ylchromen-6-yl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 175887990
(E)-3-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]-N-phenylprop-2-enamide
CID 59443460
(E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2684281
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
3-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4564383
(E)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 9192243
(E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 51370920
(E)-N-(4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7667979

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methoxyphenyl)-3-[8-(3-methoxyphenyl)-2,2-dimethylchromen-6-yl]prop-2-enamide?
The IUPAC name of (E)-N-(4-methoxyphenyl)-3-[8-(3-methoxyphenyl)-2,2-dimethylchromen-6-yl]prop-2-enamide (CID 168864585) is (E)-N-(4-methoxyphenyl)-3-[8-(3-methoxyphenyl)-2,2-dimethylchromen-6-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(4-methoxyphenyl)-3-[8-(3-methoxyphenyl)-2,2-dimethylchromen-6-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(4-methoxyphenyl)-3-[8-(3-methoxyphenyl)-2,2-dimethylchromen-6-yl]prop-2-enamide is COc1ccc(NC(=O)/C=C/c2cc3c(c(-c4cccc(OC)c4)c2)OC(C)(C)C=C3)cc1.
What is the InChIKey of (E)-N-(4-methoxyphenyl)-3-[8-(3-methoxyphenyl)-2,2-dimethylchromen-6-yl]prop-2-enamide?
The InChIKey is INNUKYXGAHAWDE-MDWZMJQESA-N. The full InChI is InChI=1S/C28H27NO4/c1-28(2)15-14-21-16-19(8-13-26(30)29-22-9-11-23(31-3)12-10-22)17-25(27(21)33-28)20-6-5-7-24(18-20)32-4/h5-18H,1-4H3,(H,29,30)/b13-8+.
What are the key properties of (E)-N-(4-methoxyphenyl)-3-[8-(3-methoxyphenyl)-2,2-dimethylchromen-6-yl]prop-2-enamide?
(E)-N-(4-methoxyphenyl)-3-[8-(3-methoxyphenyl)-2,2-dimethylchromen-6-yl]prop-2-enamide has a molecular weight of 441.53 g/mol, XLogP of 6.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methoxyphenyl)-3-[8-(3-methoxyphenyl)-2,2-dimethylchromen-6-yl]prop-2-enamide is sourced from PubChem (CID 168864585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).