(E)-3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)prop-2-enamide

C20H23NO2 — CID 6146604

IUPAC(E)-3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H23NO2/c1-20(2,3)16-11-8-15(9-12-16)10-13-19(22)21-17-6-5-7-18(14-17)23-4/h5-14H,1-4H3,(H,21,22)/b13-10+
InChIKeyZIPBOELTGXWWIT-JLHYYAGUSA-N
MW309.41 g/mol
LogP4.64
Rot. Bonds4

About (E)-3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)prop-2-enamide

(E)-3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)prop-2-enamide (PubChem CID 6146604) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (E)-3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)prop-2-enamide
PubChem CID6146604
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(E)-3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H23NO2/c1-20(2,3)16-11-8-15(9-12-16)10-13-19(22)21-17-6-5-7-18(14-17)23-4/h5-14H,1-4H3,(H,21,22)/b13-10+
InChIKeyZIPBOELTGXWWIT-JLHYYAGUSA-N
XLogP4.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)prop-2-enamide
CID 76617235
(E)-3-(4-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 886765
(E)-3-[4-(difluoromethoxy)phenyl]-N-(3-methoxyphenyl)prop-2-enamide
CID 2654528
N-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791655
(E)-3-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6005295
(E)-3-(4-tert-butylphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 6273647
4-tert-butyl-N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17235009
4-tert-butyl-N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17232322
(E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2684281
(E)-N-[3-(4-tert-butylbenzoyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 46772003
(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-methoxyphenyl)prop-2-enamide
CID 40627773
(E)-N-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 7914176

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)prop-2-enamide (CID 6146604) is (E)-3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)prop-2-enamide is COc1cccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of (E)-3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is ZIPBOELTGXWWIT-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H23NO2/c1-20(2,3)16-11-8-15(9-12-16)10-13-19(22)21-17-6-5-7-18(14-17)23-4/h5-14H,1-4H3,(H,21,22)/b13-10+.
What are the key properties of (E)-3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)prop-2-enamide?
(E)-3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 309.41 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 6146604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).