4-(2-ethoxyphenoxy)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide

C21H24N2O4 — CID 60549765

IUPAC4-(2-ethoxyphenoxy)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1ccc2oc(CC)nc2c1
InChIInChI=1S/C21H24N2O4/c1-3-21-23-16-14-15(11-12-17(16)27-21)22-20(24)10-7-13-26-19-9-6-5-8-18(19)25-4-2/h5-6,8-9,11-12,14H,3-4,7,10,13H2,1-2H3,(H,22,24)
InChIKeyIMYAMVKWDIPPAO-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.59
Rot. Bonds9

About 4-(2-ethoxyphenoxy)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide

4-(2-ethoxyphenoxy)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide (PubChem CID 60549765) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide
PubChem CID60549765
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-(2-ethoxyphenoxy)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1ccc2oc(CC)nc2c1
InChIInChI=1S/C21H24N2O4/c1-3-21-23-16-14-15(11-12-17(16)27-21)22-20(24)10-7-13-26-19-9-6-5-8-18(19)25-4-2/h5-6,8-9,11-12,14H,3-4,7,10,13H2,1-2H3,(H,22,24)
InChIKeyIMYAMVKWDIPPAO-UHFFFAOYSA-N
XLogP4.59
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-6-oxohexanoic acid
CID 60933247
6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide
CID 60945929
7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide
CID 60946050
N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide
CID 17163174
4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide
CID 18229012
4-[4-(2-ethoxyphenoxy)butanoylamino]-2-methylbenzoic acid
CID 119240265
5-[4-(2-ethoxyphenoxy)butanoylamino]-2-methylbenzoic acid
CID 119255160
methyl 4-[4-(2-ethoxyphenoxy)butanoylamino]benzoate
CID 7901202
2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide
CID 52717820
3-(ethylamino)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide
CID 62837775
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
N-(2-anilino-1,3-benzoxazol-5-yl)pentanamide
CID 142744266

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide (CID 60549765) is 4-(2-ethoxyphenoxy)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide is CCOc1ccccc1OCCCC(=O)Nc1ccc2oc(CC)nc2c1.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide?
The InChIKey is IMYAMVKWDIPPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-21-23-16-14-15(11-12-17(16)27-21)22-20(24)10-7-13-26-19-9-6-5-8-18(19)25-4-2/h5-6,8-9,11-12,14H,3-4,7,10,13H2,1-2H3,(H,22,24).
What are the key properties of 4-(2-ethoxyphenoxy)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide?
4-(2-ethoxyphenoxy)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide has a molecular weight of 368.43 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide is sourced from PubChem (CID 60549765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).