4-[(E)-3-[2,6-di(propan-2-yloxy)phenyl]prop-2-enoyl]-N,N-dimethylbenzamide

C24H29NO4 — CID 18178089

IUPAC4-[(E)-3-[2,6-di(propan-2-yloxy)phenyl]prop-2-enoyl]-N,N-dimethylbenzamide
SMILESCC(C)Oc1cccc(OC(C)C)c1/C=C/C(=O)c1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C24H29NO4/c1-16(2)28-22-8-7-9-23(29-17(3)4)20(22)14-15-21(26)18-10-12-19(13-11-18)24(27)25(5)6/h7-17H,1-6H3/b15-14+
InChIKeyDTGMHKWXEUJXIX-CCEZHUSRSA-N
MW395.50 g/mol
LogP4.86
Rot. Bonds8

About 4-[(E)-3-[2,6-di(propan-2-yloxy)phenyl]prop-2-enoyl]-N,N-dimethylbenzamide

4-[(E)-3-[2,6-di(propan-2-yloxy)phenyl]prop-2-enoyl]-N,N-dimethylbenzamide (PubChem CID 18178089) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-[(E)-3-[2,6-di(propan-2-yloxy)phenyl]prop-2-enoyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(E)-3-[2,6-di(propan-2-yloxy)phenyl]prop-2-enoyl]-N,N-dimethylbenzamide
PubChem CID18178089
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name4-[(E)-3-[2,6-di(propan-2-yloxy)phenyl]prop-2-enoyl]-N,N-dimethylbenzamide
SMILESCC(C)Oc1cccc(OC(C)C)c1/C=C/C(=O)c1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C24H29NO4/c1-16(2)28-22-8-7-9-23(29-17(3)4)20(22)14-15-21(26)18-10-12-19(13-11-18)24(27)25(5)6/h7-17H,1-6H3/b15-14+
InChIKeyDTGMHKWXEUJXIX-CCEZHUSRSA-N
XLogP4.86
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-3-[2,6-di(propan-2-yloxy)phenyl]prop-2-en-1-one
CID 54452289
1-phenyl-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
CID 70288078
N,N-dimethyl-4-[3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoyl]benzamide
CID 67793429
2-[2-[4-[(E)-3-(2,6-dimethoxyphenyl)prop-2-enoyl]phenyl]ethylidene]-N,N,N',N'-tetramethylpropanediamide
CID 70015525
tert-butyl (E)-3-(2-methoxy-6-propan-2-yloxyphenyl)prop-2-enoate
CID 169432227
4-bromo-N,N-dimethyl-3-propan-2-yloxybenzamide
CID 131254878
4-[3-(2-ethoxy-5-propan-2-ylphenyl)prop-2-enoyl]-N,N-dimethylbenzamide
CID 67794540
N-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]ethanesulfonamide
CID 56528877
4-[(E)-3-(3-tert-butyl-2,6-diethoxyphenyl)prop-2-enoyl]-N,N-dimethylbenzamide
CID 18178113
N,N-dimethyl-4-propan-2-yloxy-3-sulfamoylbenzamide
CID 65374064
4-[(E)-3-[2,6-bis[(2-methylpropan-2-yl)oxy]-3-propylphenyl]prop-2-enoyl]-N,N-dimethylbenzamide
CID 18178798
N,N-diethyl-2-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenoxy]acetamide
CID 6216700

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-[2,6-di(propan-2-yloxy)phenyl]prop-2-enoyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(E)-3-[2,6-di(propan-2-yloxy)phenyl]prop-2-enoyl]-N,N-dimethylbenzamide (CID 18178089) is 4-[(E)-3-[2,6-di(propan-2-yloxy)phenyl]prop-2-enoyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(E)-3-[2,6-di(propan-2-yloxy)phenyl]prop-2-enoyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(E)-3-[2,6-di(propan-2-yloxy)phenyl]prop-2-enoyl]-N,N-dimethylbenzamide is CC(C)Oc1cccc(OC(C)C)c1/C=C/C(=O)c1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of 4-[(E)-3-[2,6-di(propan-2-yloxy)phenyl]prop-2-enoyl]-N,N-dimethylbenzamide?
The InChIKey is DTGMHKWXEUJXIX-CCEZHUSRSA-N. The full InChI is InChI=1S/C24H29NO4/c1-16(2)28-22-8-7-9-23(29-17(3)4)20(22)14-15-21(26)18-10-12-19(13-11-18)24(27)25(5)6/h7-17H,1-6H3/b15-14+.
What are the key properties of 4-[(E)-3-[2,6-di(propan-2-yloxy)phenyl]prop-2-enoyl]-N,N-dimethylbenzamide?
4-[(E)-3-[2,6-di(propan-2-yloxy)phenyl]prop-2-enoyl]-N,N-dimethylbenzamide has a molecular weight of 395.50 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-[2,6-di(propan-2-yloxy)phenyl]prop-2-enoyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 18178089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).