(E)-3-(4-methoxyphenyl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]prop-2-enamide

C22H25NO3 — CID 99996714

IUPAC(E)-3-(4-methoxyphenyl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1
InChIInChI=1S/C22H25NO3/c1-15-5-11-20-18(13-15)19(14-22(2,3)26-20)23-21(24)12-8-16-6-9-17(25-4)10-7-16/h5-13,19H,14H2,1-4H3,(H,23,24)/b12-8+/t19-/m1/s1
InChIKeyHELJDNIKZJMFEC-YRVHBARZSA-N
MW351.45 g/mol
LogP4.44
Rot. Bonds4

About (E)-3-(4-methoxyphenyl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]prop-2-enamide (PubChem CID 99996714) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]prop-2-enamide
PubChem CID99996714
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name(E)-3-(4-methoxyphenyl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1
InChIInChI=1S/C22H25NO3/c1-15-5-11-20-18(13-15)19(14-22(2,3)26-20)23-21(24)12-8-16-6-9-17(25-4)10-7-16/h5-13,19H,14H2,1-4H3,(H,23,24)/b12-8+/t19-/m1/s1
InChIKeyHELJDNIKZJMFEC-YRVHBARZSA-N
XLogP4.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.44
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)-3-(4-chlorophenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)prop-2-enamide
CID 132653752
(E)-3-(4-nitrophenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)prop-2-enamide
CID 132654779
(E)-3-(3,4-dimethoxyphenyl)-N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]prop-2-enamide
CID 99996975
(E)-3-(1,3-benzodioxol-5-yl)-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]prop-2-enamide
CID 99997222
2-(4-methoxyphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132655388
(E)-N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 99998718
3-methoxy-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651012
1-(4-methoxyphenyl)sulfonyl-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 133167702
(E)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 132653130
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methylpropanamide
CID 95875389
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide
CID 100670635
2-(4-chlorophenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132656171

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]prop-2-enamide (CID 99996714) is (E)-3-(4-methoxyphenyl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]prop-2-enamide is COc1ccc(/C=C/C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]prop-2-enamide?
The InChIKey is HELJDNIKZJMFEC-YRVHBARZSA-N. The full InChI is InChI=1S/C22H25NO3/c1-15-5-11-20-18(13-15)19(14-22(2,3)26-20)23-21(24)12-8-16-6-9-17(25-4)10-7-16/h5-13,19H,14H2,1-4H3,(H,23,24)/b12-8+/t19-/m1/s1.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]prop-2-enamide has a molecular weight of 351.45 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]prop-2-enamide is sourced from PubChem (CID 99996714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).