N-[2-(2,2-dimethoxyethyl)phenyl]-4-(4-methoxyphenoxy)butanamide

C21H27NO5 — CID 11111535

IUPACN-[2-(2,2-dimethoxyethyl)phenyl]-4-(4-methoxyphenoxy)butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2ccccc2CC(OC)OC)cc1
InChIInChI=1S/C21H27NO5/c1-24-17-10-12-18(13-11-17)27-14-6-9-20(23)22-19-8-5-4-7-16(19)15-21(25-2)26-3/h4-5,7-8,10-13,21H,6,9,14-15H2,1-3H3,(H,22,23)
InChIKeyHHUBEABLWMIDRO-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.65
Rot. Bonds11

About N-[2-(2,2-dimethoxyethyl)phenyl]-4-(4-methoxyphenoxy)butanamide

N-[2-(2,2-dimethoxyethyl)phenyl]-4-(4-methoxyphenoxy)butanamide (PubChem CID 11111535) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[2-(2,2-dimethoxyethyl)phenyl]-4-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethoxyethyl)phenyl]-4-(4-methoxyphenoxy)butanamide
PubChem CID11111535
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC NameN-[2-(2,2-dimethoxyethyl)phenyl]-4-(4-methoxyphenoxy)butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2ccccc2CC(OC)OC)cc1
InChIInChI=1S/C21H27NO5/c1-24-17-10-12-18(13-11-17)27-14-6-9-20(23)22-19-8-5-4-7-16(19)15-21(25-2)26-3/h4-5,7-8,10-13,21H,6,9,14-15H2,1-3H3,(H,22,23)
InChIKeyHHUBEABLWMIDRO-UHFFFAOYSA-N
XLogP3.65
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide
CID 26905201
4-(4-tert-butylphenoxy)-N-(2-ethylphenyl)butanamide
CID 19173562
2-[4-(4-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 21367669
4-(4-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 21367956
N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide
CID 7783546
4-(4-ethoxyphenoxy)-N-(2-methylphenyl)butanamide
CID 7946732
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147366
N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
CID 18071037
4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
CID 86919949
N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide
CID 82034361
4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide
CID 4797069
N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethoxyethyl)phenyl]-4-(4-methoxyphenoxy)butanamide?
The IUPAC name of N-[2-(2,2-dimethoxyethyl)phenyl]-4-(4-methoxyphenoxy)butanamide (CID 11111535) is N-[2-(2,2-dimethoxyethyl)phenyl]-4-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for N-[2-(2,2-dimethoxyethyl)phenyl]-4-(4-methoxyphenoxy)butanamide?
The canonical SMILES for N-[2-(2,2-dimethoxyethyl)phenyl]-4-(4-methoxyphenoxy)butanamide is COc1ccc(OCCCC(=O)Nc2ccccc2CC(OC)OC)cc1.
What is the InChIKey of N-[2-(2,2-dimethoxyethyl)phenyl]-4-(4-methoxyphenoxy)butanamide?
The InChIKey is HHUBEABLWMIDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-24-17-10-12-18(13-11-17)27-14-6-9-20(23)22-19-8-5-4-7-16(19)15-21(25-2)26-3/h4-5,7-8,10-13,21H,6,9,14-15H2,1-3H3,(H,22,23).
What are the key properties of N-[2-(2,2-dimethoxyethyl)phenyl]-4-(4-methoxyphenoxy)butanamide?
N-[2-(2,2-dimethoxyethyl)phenyl]-4-(4-methoxyphenoxy)butanamide has a molecular weight of 373.45 g/mol, XLogP of 3.65, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethoxyethyl)phenyl]-4-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 11111535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).