(E)-3-(4-tert-butylphenyl)-N-[3-(2-hydroxyethoxy)phenyl]prop-2-enamide

C21H25NO3 — CID 10193484

IUPAC(E)-3-(4-tert-butylphenyl)-N-[3-(2-hydroxyethoxy)phenyl]prop-2-enamide
SMILESCC(C)(C)c1ccc(/C=C/C(=O)Nc2cccc(OCCO)c2)cc1
InChIInChI=1S/C21H25NO3/c1-21(2,3)17-10-7-16(8-11-17)9-12-20(24)22-18-5-4-6-19(15-18)25-14-13-23/h4-12,15,23H,13-14H2,1-3H3,(H,22,24)/b12-9+
InChIKeyOFHMNTWCPPZKHO-FMIVXFBMSA-N
MW339.44 g/mol
LogP4.01
Rot. Bonds6

About (E)-3-(4-tert-butylphenyl)-N-[3-(2-hydroxyethoxy)phenyl]prop-2-enamide

(E)-3-(4-tert-butylphenyl)-N-[3-(2-hydroxyethoxy)phenyl]prop-2-enamide (PubChem CID 10193484) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is (E)-3-(4-tert-butylphenyl)-N-[3-(2-hydroxyethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-tert-butylphenyl)-N-[3-(2-hydroxyethoxy)phenyl]prop-2-enamide
PubChem CID10193484
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name(E)-3-(4-tert-butylphenyl)-N-[3-(2-hydroxyethoxy)phenyl]prop-2-enamide
SMILESCC(C)(C)c1ccc(/C=C/C(=O)Nc2cccc(OCCO)c2)cc1
InChIInChI=1S/C21H25NO3/c1-21(2,3)17-10-7-16(8-11-17)9-12-20(24)22-18-5-4-6-19(15-18)25-14-13-23/h4-12,15,23H,13-14H2,1-3H3,(H,22,24)/b12-9+
InChIKeyOFHMNTWCPPZKHO-FMIVXFBMSA-N
XLogP4.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Mepronil
CID 41632
Amg-9810
CID 680502
(E)-N-(3-Methoxyphenyl)-3-phenyl-2-propenamide
CID 795596
3-(4-tert-Butylphenyl)-N-(4-methoxyphenyl)acrylamide
CID 680436
N-{3-[(1-Hydroxypropan-2-yl)oxy]phenyl}-2-(trifluoromethyl)benzamide
CID 71327772
3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenamide
CID 680501
(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 2176119
N1-{3-[3-(acetylamino)phenoxy]propyl}-4-(tert-butyl)benzamide
CID 2802629
N-(3-methoxyphenyl)biphenyl-4-carboxamide
CID 721917
(2E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylprop-2-enamide
CID 732540
(E)-3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 749814
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-p-tolylacrylamide
CID 887195

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-tert-butylphenyl)-N-[3-(2-hydroxyethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-tert-butylphenyl)-N-[3-(2-hydroxyethoxy)phenyl]prop-2-enamide (CID 10193484) is (E)-3-(4-tert-butylphenyl)-N-[3-(2-hydroxyethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-tert-butylphenyl)-N-[3-(2-hydroxyethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-tert-butylphenyl)-N-[3-(2-hydroxyethoxy)phenyl]prop-2-enamide is CC(C)(C)c1ccc(/C=C/C(=O)Nc2cccc(OCCO)c2)cc1.
What is the InChIKey of (E)-3-(4-tert-butylphenyl)-N-[3-(2-hydroxyethoxy)phenyl]prop-2-enamide?
The InChIKey is OFHMNTWCPPZKHO-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H25NO3/c1-21(2,3)17-10-7-16(8-11-17)9-12-20(24)22-18-5-4-6-19(15-18)25-14-13-23/h4-12,15,23H,13-14H2,1-3H3,(H,22,24)/b12-9+.
What are the key properties of (E)-3-(4-tert-butylphenyl)-N-[3-(2-hydroxyethoxy)phenyl]prop-2-enamide?
(E)-3-(4-tert-butylphenyl)-N-[3-(2-hydroxyethoxy)phenyl]prop-2-enamide has a molecular weight of 339.44 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-tert-butylphenyl)-N-[3-(2-hydroxyethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 10193484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).