(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide

C22H25N3O4 — CID 46680665

IUPAC(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccc(N3CCNC3=O)cc2)ccc1OC(C)C
InChIInChI=1S/C22H25N3O4/c1-15(2)29-19-10-4-16(14-20(19)28-3)5-11-21(26)24-17-6-8-18(9-7-17)25-13-12-23-22(25)27/h4-11,14-15H,12-13H2,1-3H3,(H,23,27)(H,24,26)/b11-5+
InChIKeyKVXKVLAYFYLLEQ-VZUCSPMQSA-N
MW395.46 g/mol
LogP3.66
Rot. Bonds7

About (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide

(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide (PubChem CID 46680665) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide
PubChem CID46680665
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccc(N3CCNC3=O)cc2)ccc1OC(C)C
InChIInChI=1S/C22H25N3O4/c1-15(2)29-19-10-4-16(14-20(19)28-3)5-11-21(26)24-17-6-8-18(9-7-17)25-13-12-23-22(25)27/h4-11,14-15H,12-13H2,1-3H3,(H,23,27)(H,24,26)/b11-5+
InChIKeyKVXKVLAYFYLLEQ-VZUCSPMQSA-N
XLogP3.66
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.66
H-Bond Donors ≤ 52
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-(3-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide
CID 46680617
4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzamide
CID 8885040
N-(3-chloro-4-methoxyphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 4583429
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(4-fluorophenyl)prop-2-enamide
CID 2666277
(E)-3-(4-ethoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide
CID 46525062
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-fluorophenyl)prop-2-enamide
CID 94760334
(E)-3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 1107601
3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(2-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 74853242
(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 55359282
3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 4157604
methyl 3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate
CID 70076895
(E)-3-(4-but-3-en-2-yloxy-3-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide
CID 122498377

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide (CID 46680665) is (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide is COc1cc(/C=C/C(=O)Nc2ccc(N3CCNC3=O)cc2)ccc1OC(C)C.
What is the InChIKey of (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide?
The InChIKey is KVXKVLAYFYLLEQ-VZUCSPMQSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-15(2)29-19-10-4-16(14-20(19)28-3)5-11-21(26)24-17-6-8-18(9-7-17)25-13-12-23-22(25)27/h4-11,14-15H,12-13H2,1-3H3,(H,23,27)(H,24,26)/b11-5+.
What are the key properties of (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide?
(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide has a molecular weight of 395.46 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 46680665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).