N-benzyl-4-(2-ethoxyphenoxy)butanamide

C19H23NO3 — CID 78774394

IUPACN-benzyl-4-(2-ethoxyphenoxy)butanamide
SMILESCCOc1ccccc1OCCCC(=O)NCc1ccccc1
InChIInChI=1S/C19H23NO3/c1-2-22-17-11-6-7-12-18(17)23-14-8-13-19(21)20-15-16-9-4-3-5-10-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,20,21)
InChIKeySGRMETMPXQXXNQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.56
Rot. Bonds9

About N-benzyl-4-(2-ethoxyphenoxy)butanamide

N-benzyl-4-(2-ethoxyphenoxy)butanamide (PubChem CID 78774394) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-benzyl-4-(2-ethoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-benzyl-4-(2-ethoxyphenoxy)butanamide
PubChem CID78774394
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-benzyl-4-(2-ethoxyphenoxy)butanamide
SMILESCCOc1ccccc1OCCCC(=O)NCc1ccccc1
InChIInChI=1S/C19H23NO3/c1-2-22-17-11-6-7-12-18(17)23-14-8-13-19(21)20-15-16-9-4-3-5-10-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,20,21)
InChIKeySGRMETMPXQXXNQ-UHFFFAOYSA-N
XLogP3.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.56
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

4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225
4-(2-ethoxyphenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 55746982
4-[[4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 20988279
4-(2-ethoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 134056527
N-[3-[[4-(2-ethoxyphenoxy)butanoylamino]methyl]phenyl]furan-2-carboxamide
CID 39228981
N-[(4-bromothiophen-2-yl)methyl]-4-(2-ethoxyphenoxy)butanamide
CID 55801604
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
N-benzyl-N'-(2-ethoxyphenyl)propanediamide
CID 108945295
N-benzyl-4-phenylmethoxybutanamide
CID 15396752
N-benzylundecanamide
CID 5078198
N,N'-dibenzyl-2-[(2-ethoxyphenyl)methylidene]propanediamide
CID 7966894
N-benzyl-4-[(4-oxo-1H-pyridin-3-yl)oxy]butanamide
CID 57066113

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2-ethoxyphenoxy)butanamide?
The IUPAC name of N-benzyl-4-(2-ethoxyphenoxy)butanamide (CID 78774394) is N-benzyl-4-(2-ethoxyphenoxy)butanamide.
What is the SMILES notation for N-benzyl-4-(2-ethoxyphenoxy)butanamide?
The canonical SMILES for N-benzyl-4-(2-ethoxyphenoxy)butanamide is CCOc1ccccc1OCCCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-(2-ethoxyphenoxy)butanamide?
The InChIKey is SGRMETMPXQXXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-2-22-17-11-6-7-12-18(17)23-14-8-13-19(21)20-15-16-9-4-3-5-10-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,20,21).
What are the key properties of N-benzyl-4-(2-ethoxyphenoxy)butanamide?
N-benzyl-4-(2-ethoxyphenoxy)butanamide has a molecular weight of 313.40 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2-ethoxyphenoxy)butanamide is sourced from PubChem (CID 78774394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).