N,N-dimethyl-4-[3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoyl]benzamide

C22H25NO3 — CID 67793429

IUPACN,N-dimethyl-4-[3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoyl]benzamide
SMILESCN(C)C(=O)c1ccc(C(=O)C=Cc2ccccc2OC(C)(C)C)cc1
InChIInChI=1S/C22H25NO3/c1-22(2,3)26-20-9-7-6-8-17(20)14-15-19(24)16-10-12-18(13-11-16)21(25)23(4)5/h6-15H,1-5H3
InChIKeyPOYMNVUKQVPFAE-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.46
Rot. Bonds5

About N,N-dimethyl-4-[3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoyl]benzamide

N,N-dimethyl-4-[3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoyl]benzamide (PubChem CID 67793429) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoyl]benzamide
PubChem CID67793429
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC NameN,N-dimethyl-4-[3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoyl]benzamide
SMILESCN(C)C(=O)c1ccc(C(=O)C=Cc2ccccc2OC(C)(C)C)cc1
InChIInChI=1S/C22H25NO3/c1-22(2,3)26-20-9-7-6-8-17(20)14-15-19(24)16-10-12-18(13-11-16)21(25)23(4)5/h6-15H,1-5H3
InChIKeyPOYMNVUKQVPFAE-UHFFFAOYSA-N
XLogP4.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-3-[5-tert-butyl-2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoyl]-N,N-dimethylbenzamide
CID 18178099
4-[(E)-3-[2,6-bis[(2-methylpropan-2-yl)oxy]-3-propylphenyl]prop-2-enoyl]-N,N-dimethylbenzamide
CID 18178798
tert-butyl (E)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 130331815
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
4-[(E)-3-[2,6-di(propan-2-yloxy)phenyl]prop-2-enoyl]-N,N-dimethylbenzamide
CID 18178089
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3292811
[2-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] acetate
CID 139234408
ethyl 3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 140807744
3-[2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 54089027
1-phenyl-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
CID 70288078
2-[4-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]phenoxy]propanoic acid
CID 24561718
(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369360

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoyl]benzamide (CID 67793429) is N,N-dimethyl-4-[3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoyl]benzamide is CN(C)C(=O)c1ccc(C(=O)C=Cc2ccccc2OC(C)(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoyl]benzamide?
The InChIKey is POYMNVUKQVPFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-22(2,3)26-20-9-7-6-8-17(20)14-15-19(24)16-10-12-18(13-11-16)21(25)23(4)5/h6-15H,1-5H3.
What are the key properties of N,N-dimethyl-4-[3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoyl]benzamide?
N,N-dimethyl-4-[3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoyl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoyl]benzamide is sourced from PubChem (CID 67793429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).