N-[4-(2,5-dimethoxyphenyl)but-3-enyl]acetamide

C14H19NO3 — CID 170488942

IUPACN-[4-(2,5-dimethoxyphenyl)but-3-enyl]acetamide
SMILESCOc1ccc(OC)c(C=CCCNC(C)=O)c1
InChIInChI=1S/C14H19NO3/c1-11(16)15-9-5-4-6-12-10-13(17-2)7-8-14(12)18-3/h4,6-8,10H,5,9H2,1-3H3,(H,15,16)
InChIKeyVDGYGTANXMLIAE-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.24
Rot. Bonds6

About N-[4-(2,5-dimethoxyphenyl)but-3-enyl]acetamide

N-[4-(2,5-dimethoxyphenyl)but-3-enyl]acetamide (PubChem CID 170488942) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)but-3-enyl]acetamide
PubChem CID170488942
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[4-(2,5-dimethoxyphenyl)but-3-enyl]acetamide
SMILESCOc1ccc(OC)c(C=CCCNC(C)=O)c1
InChIInChI=1S/C14H19NO3/c1-11(16)15-9-5-4-6-12-10-13(17-2)7-8-14(12)18-3/h4,6-8,10H,5,9H2,1-3H3,(H,15,16)
InChIKeyVDGYGTANXMLIAE-UHFFFAOYSA-N
XLogP2.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(5-chloro-2-methoxyphenyl)but-3-enyl]acetamide
CID 170488539
N-[4-(2-methoxyphenyl)but-3-enyl]acetamide
CID 170488272
4-(2,5-dimethoxyphenyl)-N-ethylbut-3-en-1-amine
CID 79592499
4-(2,5-dimethoxyphenyl)but-3-en-1-ol
CID 170476817
tert-butyl N-[4-(5-methoxy-2-methylphenyl)but-3-enyl]carbamate
CID 170490363
tert-butyl N-[4-(2-methoxy-5-methylphenyl)but-3-enyl]carbamate
CID 170490365
(E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine
CID 95444282
tert-butyl N-[4-(5-chloro-2-methoxyphenyl)but-3-enyl]carbamate
CID 170490325
N-[3-(2-formyl-4-methoxyphenyl)prop-2-enyl]acetamide
CID 169465711
(E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 35742707
N-[(Z)-5-(4-methoxyphenyl)pent-4-enyl]acetamide
CID 10331554
N-[4-methoxy-3-[(E)-5-oxohex-1-enyl]phenyl]acetamide
CID 98017113

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)but-3-enyl]acetamide (CID 170488942) is N-[4-(2,5-dimethoxyphenyl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)but-3-enyl]acetamide is COc1ccc(OC)c(C=CCCNC(C)=O)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)but-3-enyl]acetamide?
The InChIKey is VDGYGTANXMLIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11(16)15-9-5-4-6-12-10-13(17-2)7-8-14(12)18-3/h4,6-8,10H,5,9H2,1-3H3,(H,15,16).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)but-3-enyl]acetamide?
N-[4-(2,5-dimethoxyphenyl)but-3-enyl]acetamide has a molecular weight of 249.31 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)but-3-enyl]acetamide is sourced from PubChem (CID 170488942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).