(E)-N-[4-(3-methylbutoxy)phenyl]-3-(4-methylphenyl)prop-2-enamide

C21H25NO2 — CID 6235210

IUPAC(E)-N-[4-(3-methylbutoxy)phenyl]-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc(OCCC(C)C)cc2)cc1
InChIInChI=1S/C21H25NO2/c1-16(2)14-15-24-20-11-9-19(10-12-20)22-21(23)13-8-18-6-4-17(3)5-7-18/h4-13,16H,14-15H2,1-3H3,(H,22,23)/b13-8+
InChIKeyWQOLCZKAEYJCJV-MDWZMJQESA-N
MW323.44 g/mol
LogP5.07
Rot. Bonds7

About (E)-N-[4-(3-methylbutoxy)phenyl]-3-(4-methylphenyl)prop-2-enamide

(E)-N-[4-(3-methylbutoxy)phenyl]-3-(4-methylphenyl)prop-2-enamide (PubChem CID 6235210) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (E)-N-[4-(3-methylbutoxy)phenyl]-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(3-methylbutoxy)phenyl]-3-(4-methylphenyl)prop-2-enamide
PubChem CID6235210
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(E)-N-[4-(3-methylbutoxy)phenyl]-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc(OCCC(C)C)cc2)cc1
InChIInChI=1S/C21H25NO2/c1-16(2)14-15-24-20-11-9-19(10-12-20)22-21(23)13-8-18-6-4-17(3)5-7-18/h4-13,16H,14-15H2,1-3H3,(H,22,23)/b13-8+
InChIKeyWQOLCZKAEYJCJV-MDWZMJQESA-N
XLogP5.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.07
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

N-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 4939379
3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 4952517
(E)-N,3-bis(4-methylphenyl)prop-2-enamide;(4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 158955701
3-(2-chlorophenyl)-N-[4-(3-methylbutoxy)phenyl]prop-2-enamide
CID 4949705
(E)-N-[4-(3-methylbutoxy)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 6235211
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 17227131
(E)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 898659
propan-2-yl 4-[3-(4-butoxyphenyl)prop-2-enoylamino]benzoate
CID 4623630
N-(4-fluorophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791684
3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 4943064
(E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 17195487
methyl 4-[3-(4-propoxyphenyl)prop-2-enoylamino]benzoate
CID 3535563

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(3-methylbutoxy)phenyl]-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(3-methylbutoxy)phenyl]-3-(4-methylphenyl)prop-2-enamide (CID 6235210) is (E)-N-[4-(3-methylbutoxy)phenyl]-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(3-methylbutoxy)phenyl]-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(3-methylbutoxy)phenyl]-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2ccc(OCCC(C)C)cc2)cc1.
What is the InChIKey of (E)-N-[4-(3-methylbutoxy)phenyl]-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is WQOLCZKAEYJCJV-MDWZMJQESA-N. The full InChI is InChI=1S/C21H25NO2/c1-16(2)14-15-24-20-11-9-19(10-12-20)22-21(23)13-8-18-6-4-17(3)5-7-18/h4-13,16H,14-15H2,1-3H3,(H,22,23)/b13-8+.
What are the key properties of (E)-N-[4-(3-methylbutoxy)phenyl]-3-(4-methylphenyl)prop-2-enamide?
(E)-N-[4-(3-methylbutoxy)phenyl]-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 323.44 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(3-methylbutoxy)phenyl]-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 6235210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).