(E)-3-(4-acetamidophenyl)-N-(3-butoxypropyl)prop-2-enamide

C18H26N2O3 — CID 31255727

IUPAC(E)-3-(4-acetamidophenyl)-N-(3-butoxypropyl)prop-2-enamide
SMILESCCCCOCCCNC(=O)/C=C/c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H26N2O3/c1-3-4-13-23-14-5-12-19-18(22)11-8-16-6-9-17(10-7-16)20-15(2)21/h6-11H,3-5,12-14H2,1-2H3,(H,19,22)(H,20,21)/b11-8+
InChIKeyHRVGWVFPKARQNJ-DHZHZOJOSA-N
MW318.42 g/mol
LogP2.98
Rot. Bonds10

About (E)-3-(4-acetamidophenyl)-N-(3-butoxypropyl)prop-2-enamide

(E)-3-(4-acetamidophenyl)-N-(3-butoxypropyl)prop-2-enamide (PubChem CID 31255727) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (E)-3-(4-acetamidophenyl)-N-(3-butoxypropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-acetamidophenyl)-N-(3-butoxypropyl)prop-2-enamide
PubChem CID31255727
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(E)-3-(4-acetamidophenyl)-N-(3-butoxypropyl)prop-2-enamide
SMILESCCCCOCCCNC(=O)/C=C/c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H26N2O3/c1-3-4-13-23-14-5-12-19-18(22)11-8-16-6-9-17(10-7-16)20-15(2)21/h6-11H,3-5,12-14H2,1-2H3,(H,19,22)(H,20,21)/b11-8+
InChIKeyHRVGWVFPKARQNJ-DHZHZOJOSA-N
XLogP2.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
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

(E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 51339871
N-butyl-3-(4-hydroxyphenyl)prop-2-enamide
CID 56978455
3-(4-methoxyphenyl)-N-nonylprop-2-enamide
CID 4278604
3-(4-methylphenyl)-N-pentylprop-2-enamide
CID 3568321
4-[(E)-3-[3-(2-methoxyethoxy)propylamino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134035141
(E)-3-(4-acetamidophenyl)-N-heptan-2-ylprop-2-enamide
CID 46571095
(E)-3-(4-methylphenyl)-N-octylprop-2-enamide
CID 6042816
3-(4-methylphenyl)-N-octylprop-2-enamide
CID 4229517
N-[4-(4-pentoxybutoxy)phenyl]acetamide
CID 142679131
N-(3-ethoxypropyl)-3-(3-methylphenyl)prop-2-enamide
CID 102603478
(E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide
CID 6006406
3-(4-chlorophenyl)-N-decylprop-2-enamide
CID 4172877

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-acetamidophenyl)-N-(3-butoxypropyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-acetamidophenyl)-N-(3-butoxypropyl)prop-2-enamide (CID 31255727) is (E)-3-(4-acetamidophenyl)-N-(3-butoxypropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-acetamidophenyl)-N-(3-butoxypropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-acetamidophenyl)-N-(3-butoxypropyl)prop-2-enamide is CCCCOCCCNC(=O)/C=C/c1ccc(NC(C)=O)cc1.
What is the InChIKey of (E)-3-(4-acetamidophenyl)-N-(3-butoxypropyl)prop-2-enamide?
The InChIKey is HRVGWVFPKARQNJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-4-13-23-14-5-12-19-18(22)11-8-16-6-9-17(10-7-16)20-15(2)21/h6-11H,3-5,12-14H2,1-2H3,(H,19,22)(H,20,21)/b11-8+.
What are the key properties of (E)-3-(4-acetamidophenyl)-N-(3-butoxypropyl)prop-2-enamide?
(E)-3-(4-acetamidophenyl)-N-(3-butoxypropyl)prop-2-enamide has a molecular weight of 318.42 g/mol, XLogP of 2.98, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-acetamidophenyl)-N-(3-butoxypropyl)prop-2-enamide is sourced from PubChem (CID 31255727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).