N-[2-(2-hexoxyethoxy)ethyl]-4-(3-methylbutyl)benzamide

C22H37NO3 — CID 157074659

IUPACN-[2-(2-hexoxyethoxy)ethyl]-4-(3-methylbutyl)benzamide
SMILESCCCCCCOCCOCCNC(=O)c1ccc(CCC(C)C)cc1
InChIInChI=1S/C22H37NO3/c1-4-5-6-7-15-25-17-18-26-16-14-23-22(24)21-12-10-20(11-13-21)9-8-19(2)3/h10-13,19H,4-9,14-18H2,1-3H3,(H,23,24)
InChIKeyFEPAKRDRMSFGCJ-UHFFFAOYSA-N
MW363.54 g/mol
LogP4.62
Rot. Bonds15

About N-[2-(2-hexoxyethoxy)ethyl]-4-(3-methylbutyl)benzamide

N-[2-(2-hexoxyethoxy)ethyl]-4-(3-methylbutyl)benzamide (PubChem CID 157074659) has the molecular formula C22H37NO3 and a molecular weight of 363.54 g/mol. Its IUPAC name is N-[2-(2-hexoxyethoxy)ethyl]-4-(3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-hexoxyethoxy)ethyl]-4-(3-methylbutyl)benzamide
PubChem CID157074659
Molecular FormulaC22H37NO3
Molecular Weight363.54 g/mol
Exact Mass363.28
IUPAC NameN-[2-(2-hexoxyethoxy)ethyl]-4-(3-methylbutyl)benzamide
SMILESCCCCCCOCCOCCNC(=O)c1ccc(CCC(C)C)cc1
InChIInChI=1S/C22H37NO3/c1-4-5-6-7-15-25-17-18-26-16-14-23-22(24)21-12-10-20(11-13-21)9-8-19(2)3/h10-13,19H,4-9,14-18H2,1-3H3,(H,23,24)
InChIKeyFEPAKRDRMSFGCJ-UHFFFAOYSA-N
XLogP4.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.54
LogP ≤ 54.62
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-[2-(2-hexoxyethoxy)ethyl]-4-(methylaminomethyl)benzamide
CID 90338093
N-[[4-[2-(2-hexoxyethoxy)ethylcarbamoyl]phenyl]methyl]-5-(hydrazinecarbonyl)thiophene-2-carboxamide
CID 67629900
N-hexyl-4-propylbenzamide
CID 70894310
4-amino-N-(2-butoxyethyl)benzamide
CID 61171616
N-pentyl-4-propylbenzamide
CID 70894308
N-(2-butoxyethyl)-4-hydrazinylbenzamide
CID 62243133
4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 55046818
4-(2-methylpropyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]benzamide
CID 172602747
2-hexoxyethyl 4-butylbenzoate
CID 140608518
2-octoxyethyl 4-butylbenzoate
CID 140608616
2-(4-methylpentoxy)ethyl 4-propylbenzoate
CID 140608691
3-[[4-[7-(4-pentylphenoxy)heptyl]benzoyl]amino]propanoic acid
CID 67486020

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hexoxyethoxy)ethyl]-4-(3-methylbutyl)benzamide?
The IUPAC name of N-[2-(2-hexoxyethoxy)ethyl]-4-(3-methylbutyl)benzamide (CID 157074659) is N-[2-(2-hexoxyethoxy)ethyl]-4-(3-methylbutyl)benzamide.
What is the SMILES notation for N-[2-(2-hexoxyethoxy)ethyl]-4-(3-methylbutyl)benzamide?
The canonical SMILES for N-[2-(2-hexoxyethoxy)ethyl]-4-(3-methylbutyl)benzamide is CCCCCCOCCOCCNC(=O)c1ccc(CCC(C)C)cc1.
What is the InChIKey of N-[2-(2-hexoxyethoxy)ethyl]-4-(3-methylbutyl)benzamide?
The InChIKey is FEPAKRDRMSFGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO3/c1-4-5-6-7-15-25-17-18-26-16-14-23-22(24)21-12-10-20(11-13-21)9-8-19(2)3/h10-13,19H,4-9,14-18H2,1-3H3,(H,23,24).
What are the key properties of N-[2-(2-hexoxyethoxy)ethyl]-4-(3-methylbutyl)benzamide?
N-[2-(2-hexoxyethoxy)ethyl]-4-(3-methylbutyl)benzamide has a molecular weight of 363.54 g/mol, XLogP of 4.62, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hexoxyethoxy)ethyl]-4-(3-methylbutyl)benzamide is sourced from PubChem (CID 157074659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).