N-[5-(3-cyanopropyl)-2-ethoxyphenyl]acetamide

C14H18N2O2 — CID 98015653

IUPACN-[5-(3-cyanopropyl)-2-ethoxyphenyl]acetamide
SMILESCCOc1ccc(CCCC#N)cc1NC(C)=O
InChIInChI=1S/C14H18N2O2/c1-3-18-14-8-7-12(6-4-5-9-15)10-13(14)16-11(2)17/h7-8,10H,3-6H2,1-2H3,(H,16,17)
InChIKeyLKKZXINCNIJDJH-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.89
Rot. Bonds6

About N-[5-(3-cyanopropyl)-2-ethoxyphenyl]acetamide

N-[5-(3-cyanopropyl)-2-ethoxyphenyl]acetamide (PubChem CID 98015653) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[5-(3-cyanopropyl)-2-ethoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-(3-cyanopropyl)-2-ethoxyphenyl]acetamide
PubChem CID98015653
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[5-(3-cyanopropyl)-2-ethoxyphenyl]acetamide
SMILESCCOc1ccc(CCCC#N)cc1NC(C)=O
InChIInChI=1S/C14H18N2O2/c1-3-18-14-8-7-12(6-4-5-9-15)10-13(14)16-11(2)17/h7-8,10H,3-6H2,1-2H3,(H,16,17)
InChIKeyLKKZXINCNIJDJH-UHFFFAOYSA-N
XLogP2.89
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.89
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-[5-(3-cyanopropyl)-2-methoxyphenyl]acetamide
CID 96660405
N-[2-ethoxy-5-(hydroxymethyl)phenyl]acetamide
CID 82470650
N-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide
CID 96673990
N-[2-ethoxy-5-[2-(methanesulfonamido)ethyl]phenyl]acetamide
CID 110790279
2-(3-acetamido-4-ethoxyphenyl)acetamide
CID 96674142
4-(3-tert-butyl-4-ethoxyphenyl)butanenitrile
CID 83934358
4-(3-ethyl-4-methoxyphenyl)butanenitrile
CID 96657172
3-acetamido-4-ethoxybenzenesulfonic acid
CID 82483875
N-[2-ethoxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide
CID 112514063
ethyl 5-(4-cyanobutyl)-2-methoxybenzoate
CID 10967274
N-[5-(3-aminopentyl)-2-methoxyphenyl]acetamide
CID 112513422
3-(4-chloro-3-ethoxyphenyl)propanenitrile
CID 84781038

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyanopropyl)-2-ethoxyphenyl]acetamide?
The IUPAC name of N-[5-(3-cyanopropyl)-2-ethoxyphenyl]acetamide (CID 98015653) is N-[5-(3-cyanopropyl)-2-ethoxyphenyl]acetamide.
What is the SMILES notation for N-[5-(3-cyanopropyl)-2-ethoxyphenyl]acetamide?
The canonical SMILES for N-[5-(3-cyanopropyl)-2-ethoxyphenyl]acetamide is CCOc1ccc(CCCC#N)cc1NC(C)=O.
What is the InChIKey of N-[5-(3-cyanopropyl)-2-ethoxyphenyl]acetamide?
The InChIKey is LKKZXINCNIJDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-18-14-8-7-12(6-4-5-9-15)10-13(14)16-11(2)17/h7-8,10H,3-6H2,1-2H3,(H,16,17).
What are the key properties of N-[5-(3-cyanopropyl)-2-ethoxyphenyl]acetamide?
N-[5-(3-cyanopropyl)-2-ethoxyphenyl]acetamide has a molecular weight of 246.31 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyanopropyl)-2-ethoxyphenyl]acetamide is sourced from PubChem (CID 98015653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).