(E)-N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylprop-2-enamide

C23H25NO3 — CID 73333328

IUPAC(E)-N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylprop-2-enamide
SMILESCOc1cc2c(cc1C(C)NC(=O)/C=C/c1ccccc1)C=CC(C)(C)O2
InChIInChI=1S/C23H25NO3/c1-16(24-22(25)11-10-17-8-6-5-7-9-17)19-14-18-12-13-23(2,3)27-20(18)15-21(19)26-4/h5-16H,1-4H3,(H,24,25)/b11-10+
InChIKeyQTTFZKVHOYSYCT-ZHACJKMWSA-N
MW363.46 g/mol
LogP4.77
Rot. Bonds5

About (E)-N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylprop-2-enamide

(E)-N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 73333328) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is (E)-N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID73333328
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name(E)-N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylprop-2-enamide
SMILESCOc1cc2c(cc1C(C)NC(=O)/C=C/c1ccccc1)C=CC(C)(C)O2
InChIInChI=1S/C23H25NO3/c1-16(24-22(25)11-10-17-8-6-5-7-9-17)19-14-18-12-13-23(2,3)27-20(18)15-21(19)26-4/h5-16H,1-4H3,(H,24,25)/b11-10+
InChIKeyQTTFZKVHOYSYCT-ZHACJKMWSA-N
XLogP4.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.77
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

7-methoxy-6-[1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene
CID 14427469
1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-6-yl)-3-phenylprop-2-en-1-one
CID 73195975
(E)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7719138
(E)-N-[(1S)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 9220065
(E)-3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618984
(E)-3-(3-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]prop-2-enamide
CID 9476999
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 78771438
(E)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 26442165
(E)-3-(3,4-dimethoxyphenyl)-1-(7-hydroxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one
CID 15293188
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
(E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide
CID 8856139
(E)-3-(3,4-dimethoxyphenyl)-N-[1-(2-methylphenyl)ethyl]prop-2-enamide
CID 51149237

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylprop-2-enamide (CID 73333328) is (E)-N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylprop-2-enamide is COc1cc2c(cc1C(C)NC(=O)/C=C/c1ccccc1)C=CC(C)(C)O2.
What is the InChIKey of (E)-N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is QTTFZKVHOYSYCT-ZHACJKMWSA-N. The full InChI is InChI=1S/C23H25NO3/c1-16(24-22(25)11-10-17-8-6-5-7-9-17)19-14-18-12-13-23(2,3)27-20(18)15-21(19)26-4/h5-16H,1-4H3,(H,24,25)/b11-10+.
What are the key properties of (E)-N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylprop-2-enamide?
(E)-N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 363.46 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 73333328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).