N-(4-cyanobutyl)-2-(2-methoxyphenyl)acetamide

C14H18N2O2 — CID 63284741

IUPACN-(4-cyanobutyl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NCCCCC#N
InChIInChI=1S/C14H18N2O2/c1-18-13-8-4-3-7-12(13)11-14(17)16-10-6-2-5-9-15/h3-4,7-8H,2,5-6,10-11H2,1H3,(H,16,17)
InChIKeyRKOHPPMQPOXIGC-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.05
Rot. Bonds7

About N-(4-cyanobutyl)-2-(2-methoxyphenyl)acetamide

N-(4-cyanobutyl)-2-(2-methoxyphenyl)acetamide (PubChem CID 63284741) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(4-cyanobutyl)-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-cyanobutyl)-2-(2-methoxyphenyl)acetamide
PubChem CID63284741
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(4-cyanobutyl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NCCCCC#N
InChIInChI=1S/C14H18N2O2/c1-18-13-8-4-3-7-12(13)11-14(17)16-10-6-2-5-9-15/h3-4,7-8H,2,5-6,10-11H2,1H3,(H,16,17)
InChIKeyRKOHPPMQPOXIGC-UHFFFAOYSA-N
XLogP2.05
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.05
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-heptyl-2-(2-methoxyphenyl)acetamide
CID 3375995
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864
N-(3-cyanopropyl)-2,6-dimethoxybenzamide
CID 62666063
N-(5-amino-4-methylpentyl)-2-(2-methoxyphenyl)acetamide
CID 106152966
1-(3-cyanopropyl)-3-(2-methoxyphenyl)urea
CID 62666828
N-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride
CID 75369473
2-(2-methoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide
CID 38567183
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
2-(2-chlorophenyl)-N-(3-cyanopropyl)acetamide
CID 62665870
2-(2-methoxyphenyl)-N-[3-(N-methylanilino)propyl]acetamide
CID 31103541
2-cyano-N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]acetamide
CID 108922586
N-[2-(4-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18119172

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanobutyl)-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-(4-cyanobutyl)-2-(2-methoxyphenyl)acetamide (CID 63284741) is N-(4-cyanobutyl)-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4-cyanobutyl)-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-(4-cyanobutyl)-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)NCCCCC#N.
What is the InChIKey of N-(4-cyanobutyl)-2-(2-methoxyphenyl)acetamide?
The InChIKey is RKOHPPMQPOXIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-18-13-8-4-3-7-12(13)11-14(17)16-10-6-2-5-9-15/h3-4,7-8H,2,5-6,10-11H2,1H3,(H,16,17).
What are the key properties of N-(4-cyanobutyl)-2-(2-methoxyphenyl)acetamide?
N-(4-cyanobutyl)-2-(2-methoxyphenyl)acetamide has a molecular weight of 246.31 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanobutyl)-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 63284741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).