2-(1,2-benzoxazol-3-yl)-N-(2-butoxy-5-methoxyphenyl)acetamide

C20H22N2O4 — CID 46441550

IUPAC2-(1,2-benzoxazol-3-yl)-N-(2-butoxy-5-methoxyphenyl)acetamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)Cc1noc2ccccc12
InChIInChI=1S/C20H22N2O4/c1-3-4-11-25-19-10-9-14(24-2)12-17(19)21-20(23)13-16-15-7-5-6-8-18(15)26-22-16/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,23)
InChIKeyZFWWCOAXZCMQJH-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.20
Rot. Bonds8

About 2-(1,2-benzoxazol-3-yl)-N-(2-butoxy-5-methoxyphenyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(2-butoxy-5-methoxyphenyl)acetamide (PubChem CID 46441550) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(2-butoxy-5-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(2-butoxy-5-methoxyphenyl)acetamide
PubChem CID46441550
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(2-butoxy-5-methoxyphenyl)acetamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)Cc1noc2ccccc12
InChIInChI=1S/C20H22N2O4/c1-3-4-11-25-19-10-9-14(24-2)12-17(19)21-20(23)13-16-15-7-5-6-8-18(15)26-22-16/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,23)
InChIKeyZFWWCOAXZCMQJH-UHFFFAOYSA-N
XLogP4.20
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.20
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

2-(1,2-benzoxazol-3-yl)-N-(2,5-diethoxyphenyl)acetamide
CID 35540282
2-(1,2-benzoxazol-3-yl)-N-(2-propoxyphenyl)acetamide
CID 51217571
2-(1,2-benzoxazol-3-yl)-N-(2-methoxyphenyl)acetamide
CID 1235350
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 9255690
1-(1,2-benzoxazol-3-ylmethyl)-3-(2,5-dimethoxyphenyl)urea
CID 20901323
2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 9162813
N-(3-acetamido-4-methoxyphenyl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 33310841
2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide
CID 119715039
2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide
CID 87006319
2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide;hydrochloride
CID 119715038
3-(2-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)propanamide;hydrochloride
CID 120608796
2-(1,2-benzoxazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 26157703

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2-butoxy-5-methoxyphenyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2-butoxy-5-methoxyphenyl)acetamide (CID 46441550) is 2-(1,2-benzoxazol-3-yl)-N-(2-butoxy-5-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(2-butoxy-5-methoxyphenyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(2-butoxy-5-methoxyphenyl)acetamide is CCCCOc1ccc(OC)cc1NC(=O)Cc1noc2ccccc12.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(2-butoxy-5-methoxyphenyl)acetamide?
The InChIKey is ZFWWCOAXZCMQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-4-11-25-19-10-9-14(24-2)12-17(19)21-20(23)13-16-15-7-5-6-8-18(15)26-22-16/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,23).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(2-butoxy-5-methoxyphenyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(2-butoxy-5-methoxyphenyl)acetamide has a molecular weight of 354.41 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(2-butoxy-5-methoxyphenyl)acetamide is sourced from PubChem (CID 46441550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).