N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide

C22H27NO3 — CID 4081938

IUPACN-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide
SMILESCCCCOc1ccccc1NC(=O)C=Cc1ccccc1OCCC
InChIInChI=1S/C22H27NO3/c1-3-5-17-26-21-13-9-7-11-19(21)23-22(24)15-14-18-10-6-8-12-20(18)25-16-4-2/h6-15H,3-5,16-17H2,1-2H3,(H,23,24)
InChIKeyUHAPUWCAQCSMFH-UHFFFAOYSA-N
MW353.46 g/mol
LogP5.31
Rot. Bonds10

About N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide

N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide (PubChem CID 4081938) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide
PubChem CID4081938
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide
SMILESCCCCOc1ccccc1NC(=O)C=Cc1ccccc1OCCC
InChIInChI=1S/C22H27NO3/c1-3-5-17-26-21-13-9-7-11-19(21)23-22(24)15-14-18-10-6-8-12-20(18)25-16-4-2/h6-15H,3-5,16-17H2,1-2H3,(H,23,24)
InChIKeyUHAPUWCAQCSMFH-UHFFFAOYSA-N
XLogP5.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.46
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide
CID 4089044
(E)-N-(4-bromo-2-fluorophenyl)-3-(2-butoxyphenyl)prop-2-enamide
CID 53267575
(Z)-N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 20834743
N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 3127031
N-(3,5-dichlorophenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4278421
1,3-bis(2-butoxyphenyl)urea
CID 17170447
3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 692550
(E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 5339096
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
(E)-N-(2-butoxyphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 166162419
3-(3-bromo-4-methoxyphenyl)-N-(2-butoxyphenyl)prop-2-enamide
CID 3609186
propyl 4-[3-(2-propoxyphenyl)prop-2-enoylamino]benzoate
CID 4278286

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide?
The IUPAC name of N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide (CID 4081938) is N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide is CCCCOc1ccccc1NC(=O)C=Cc1ccccc1OCCC.
What is the InChIKey of N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide?
The InChIKey is UHAPUWCAQCSMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-3-5-17-26-21-13-9-7-11-19(21)23-22(24)15-14-18-10-6-8-12-20(18)25-16-4-2/h6-15H,3-5,16-17H2,1-2H3,(H,23,24).
What are the key properties of N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide?
N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide has a molecular weight of 353.46 g/mol, XLogP of 5.31, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 4081938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).