(E)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-3-(2-methoxyphenyl)prop-2-enamide

C23H27NO3 — CID 100695082

IUPAC(E)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCCC1(CC)C[C@@H](NC(=O)/C=C/c2ccccc2OC)c2ccccc2O1
InChIInChI=1S/C23H27NO3/c1-4-23(5-2)16-19(18-11-7-9-13-21(18)27-23)24-22(25)15-14-17-10-6-8-12-20(17)26-3/h6-15,19H,4-5,16H2,1-3H3,(H,24,25)/b15-14+/t19-/m1/s1
InChIKeyLKCFEUHIKZEXMK-JUWJPQTCSA-N
MW365.47 g/mol
LogP4.91
Rot. Bonds6

About (E)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-3-(2-methoxyphenyl)prop-2-enamide

(E)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 100695082) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is (E)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID100695082
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name(E)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCCC1(CC)C[C@@H](NC(=O)/C=C/c2ccccc2OC)c2ccccc2O1
InChIInChI=1S/C23H27NO3/c1-4-23(5-2)16-19(18-11-7-9-13-21(18)27-23)24-22(25)15-14-17-10-6-8-12-20(17)26-3/h6-15,19H,4-5,16H2,1-3H3,(H,24,25)/b15-14+/t19-/m1/s1
InChIKeyLKCFEUHIKZEXMK-JUWJPQTCSA-N
XLogP4.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.91
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

(E)-N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 99998718
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133160348
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide
CID 100609810
(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 46813693
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 133186794
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)cyclohexanecarboxamide
CID 133256868
(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-phenoxybutanamide
CID 100708242
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-2-yloxyacetamide
CID 133186763
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 133160023
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 100770125
(2S)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 125059757
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(4-methylphenoxy)butanamide
CID 100747953

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-3-(2-methoxyphenyl)prop-2-enamide (CID 100695082) is (E)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-3-(2-methoxyphenyl)prop-2-enamide is CCC1(CC)C[C@@H](NC(=O)/C=C/c2ccccc2OC)c2ccccc2O1.
What is the InChIKey of (E)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is LKCFEUHIKZEXMK-JUWJPQTCSA-N. The full InChI is InChI=1S/C23H27NO3/c1-4-23(5-2)16-19(18-11-7-9-13-21(18)27-23)24-22(25)15-14-17-10-6-8-12-20(17)26-3/h6-15,19H,4-5,16H2,1-3H3,(H,24,25)/b15-14+/t19-/m1/s1.
What are the key properties of (E)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-3-(2-methoxyphenyl)prop-2-enamide?
(E)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 365.47 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 100695082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).