(E)-N-(3-acetamidopropyl)-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide

C18H25FN2O2 — CID 110630690

IUPAC(E)-N-(3-acetamidopropyl)-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide
SMILESCC(=O)NCCCNC(=O)/C=C(/c1ccc(F)c(C)c1)C(C)C
InChIInChI=1S/C18H25FN2O2/c1-12(2)16(15-6-7-17(19)13(3)10-15)11-18(23)21-9-5-8-20-14(4)22/h6-7,10-12H,5,8-9H2,1-4H3,(H,20,22)(H,21,23)/b16-11+
InChIKeyLKDYFHWAHPDGIF-LFIBNONCSA-N
MW320.41 g/mol
LogP2.82
Rot. Bonds7

About (E)-N-(3-acetamidopropyl)-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide

(E)-N-(3-acetamidopropyl)-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide (PubChem CID 110630690) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is (E)-N-(3-acetamidopropyl)-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-acetamidopropyl)-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide
PubChem CID110630690
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name(E)-N-(3-acetamidopropyl)-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide
SMILESCC(=O)NCCCNC(=O)/C=C(/c1ccc(F)c(C)c1)C(C)C
InChIInChI=1S/C18H25FN2O2/c1-12(2)16(15-6-7-17(19)13(3)10-15)11-18(23)21-9-5-8-20-14(4)22/h6-7,10-12H,5,8-9H2,1-4H3,(H,20,22)(H,21,23)/b16-11+
InChIKeyLKDYFHWAHPDGIF-LFIBNONCSA-N
XLogP2.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide
CID 110406397
(E)-N-(4-acetamidobutyl)-3-(4-bromophenyl)-4-methylpent-2-enamide
CID 110609771
(E)-3-(4-fluoro-3-methylphenyl)-4-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pent-2-enamide
CID 110625280
(E)-N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide
CID 110606299
N-(3-aminopropyl)-4-fluoro-3-methylbenzamide
CID 63208781
4-fluoro-3-methyl-N-(3-methylbutyl)benzamide
CID 63212522
(E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide
CID 110309509
N-butyl-2-(4-fluoro-3-methylphenyl)-2-oxoacetamide
CID 94263669
4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide
CID 107317159
N-(4-chlorobutyl)-4-fluoro-3-methylbenzamide
CID 106845201
4-(4-fluoro-3-methylphenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414571
4-fluoro-3-methyl-N-(4-methylsulfanylbutyl)benzamide
CID 115635798

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-acetamidopropyl)-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide?
The IUPAC name of (E)-N-(3-acetamidopropyl)-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide (CID 110630690) is (E)-N-(3-acetamidopropyl)-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide.
What is the SMILES notation for (E)-N-(3-acetamidopropyl)-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide?
The canonical SMILES for (E)-N-(3-acetamidopropyl)-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide is CC(=O)NCCCNC(=O)/C=C(/c1ccc(F)c(C)c1)C(C)C.
What is the InChIKey of (E)-N-(3-acetamidopropyl)-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide?
The InChIKey is LKDYFHWAHPDGIF-LFIBNONCSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-12(2)16(15-6-7-17(19)13(3)10-15)11-18(23)21-9-5-8-20-14(4)22/h6-7,10-12H,5,8-9H2,1-4H3,(H,20,22)(H,21,23)/b16-11+.
What are the key properties of (E)-N-(3-acetamidopropyl)-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide?
(E)-N-(3-acetamidopropyl)-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide has a molecular weight of 320.41 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-acetamidopropyl)-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide is sourced from PubChem (CID 110630690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).