N-(3-heptoxyphenyl)-2-(2-methylphenyl)acetamide

C22H29NO2 — CID 43877403

IUPACN-(3-heptoxyphenyl)-2-(2-methylphenyl)acetamide
SMILESCCCCCCCOc1cccc(NC(=O)Cc2ccccc2C)c1
InChIInChI=1S/C22H29NO2/c1-3-4-5-6-9-15-25-21-14-10-13-20(17-21)23-22(24)16-19-12-8-7-11-18(19)2/h7-8,10-14,17H,3-6,9,15-16H2,1-2H3,(H,23,24)
InChIKeyNVBMMKSNOLNKRY-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.53
Rot. Bonds10

About N-(3-heptoxyphenyl)-2-(2-methylphenyl)acetamide

N-(3-heptoxyphenyl)-2-(2-methylphenyl)acetamide (PubChem CID 43877403) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-(3-heptoxyphenyl)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-heptoxyphenyl)-2-(2-methylphenyl)acetamide
PubChem CID43877403
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC NameN-(3-heptoxyphenyl)-2-(2-methylphenyl)acetamide
SMILESCCCCCCCOc1cccc(NC(=O)Cc2ccccc2C)c1
InChIInChI=1S/C22H29NO2/c1-3-4-5-6-9-15-25-21-14-10-13-20(17-21)23-22(24)16-19-12-8-7-11-18(19)2/h7-8,10-14,17H,3-6,9,15-16H2,1-2H3,(H,23,24)
InChIKeyNVBMMKSNOLNKRY-UHFFFAOYSA-N
XLogP5.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hexoxyphenyl)-2-(2-methylphenyl)acetamide
CID 26163356
N-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide
CID 17138095
2-(2,6-dimethylanilino)-N-(3-hexoxyphenyl)acetamide
CID 54818482
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
2-(ethylamino)-N-(3-hexoxyphenyl)acetamide
CID 54820702
N-(3-hexoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 54817631
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide
CID 54813824
2-(tert-butylamino)-N-(3-heptoxyphenyl)acetamide
CID 54813608
N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide
CID 17094750
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
(3-hexoxyphenyl)urea
CID 102387253

Frequently Asked Questions

What is the IUPAC name of N-(3-heptoxyphenyl)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-(3-heptoxyphenyl)-2-(2-methylphenyl)acetamide (CID 43877403) is N-(3-heptoxyphenyl)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(3-heptoxyphenyl)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(3-heptoxyphenyl)-2-(2-methylphenyl)acetamide is CCCCCCCOc1cccc(NC(=O)Cc2ccccc2C)c1.
What is the InChIKey of N-(3-heptoxyphenyl)-2-(2-methylphenyl)acetamide?
The InChIKey is NVBMMKSNOLNKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-3-4-5-6-9-15-25-21-14-10-13-20(17-21)23-22(24)16-19-12-8-7-11-18(19)2/h7-8,10-14,17H,3-6,9,15-16H2,1-2H3,(H,23,24).
What are the key properties of N-(3-heptoxyphenyl)-2-(2-methylphenyl)acetamide?
N-(3-heptoxyphenyl)-2-(2-methylphenyl)acetamide has a molecular weight of 339.48 g/mol, XLogP of 5.53, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-heptoxyphenyl)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 43877403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).