N-benzyl-2-(2-methyl-1,3-benzoxazol-6-yl)-N-propan-2-ylacetamide

C20H22N2O2 — CID 110771979

IUPACN-benzyl-2-(2-methyl-1,3-benzoxazol-6-yl)-N-propan-2-ylacetamide
SMILESCc1nc2ccc(CC(=O)N(Cc3ccccc3)C(C)C)cc2o1
InChIInChI=1S/C20H22N2O2/c1-14(2)22(13-16-7-5-4-6-8-16)20(23)12-17-9-10-18-19(11-17)24-15(3)21-18/h4-11,14H,12-13H2,1-3H3
InChIKeyGIILCTDADSBGAF-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.12
Rot. Bonds5

About N-benzyl-2-(2-methyl-1,3-benzoxazol-6-yl)-N-propan-2-ylacetamide

N-benzyl-2-(2-methyl-1,3-benzoxazol-6-yl)-N-propan-2-ylacetamide (PubChem CID 110771979) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-benzyl-2-(2-methyl-1,3-benzoxazol-6-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-methyl-1,3-benzoxazol-6-yl)-N-propan-2-ylacetamide
PubChem CID110771979
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-benzyl-2-(2-methyl-1,3-benzoxazol-6-yl)-N-propan-2-ylacetamide
SMILESCc1nc2ccc(CC(=O)N(Cc3ccccc3)C(C)C)cc2o1
InChIInChI=1S/C20H22N2O2/c1-14(2)22(13-16-7-5-4-6-8-16)20(23)12-17-9-10-18-19(11-17)24-15(3)21-18/h4-11,14H,12-13H2,1-3H3
InChIKeyGIILCTDADSBGAF-UHFFFAOYSA-N
XLogP4.12
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide
CID 110774001
2-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]propanoic acid
CID 117042047
N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765217
[methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methanol
CID 115229195
N-benzyl-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 113098358
2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-propan-2-ylacetamide
CID 52888357
N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
CID 115191188
1,1,1-trifluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one
CID 167601007
2-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]acetic acid
CID 82383516
N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide
CID 110759810
2-(3-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 110791108
N-benzyl-N-propan-2-yl-2-(1H-pyrrol-3-yl)acetamide
CID 110769169

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-methyl-1,3-benzoxazol-6-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-(2-methyl-1,3-benzoxazol-6-yl)-N-propan-2-ylacetamide (CID 110771979) is N-benzyl-2-(2-methyl-1,3-benzoxazol-6-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(2-methyl-1,3-benzoxazol-6-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(2-methyl-1,3-benzoxazol-6-yl)-N-propan-2-ylacetamide is Cc1nc2ccc(CC(=O)N(Cc3ccccc3)C(C)C)cc2o1.
What is the InChIKey of N-benzyl-2-(2-methyl-1,3-benzoxazol-6-yl)-N-propan-2-ylacetamide?
The InChIKey is GIILCTDADSBGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14(2)22(13-16-7-5-4-6-8-16)20(23)12-17-9-10-18-19(11-17)24-15(3)21-18/h4-11,14H,12-13H2,1-3H3.
What are the key properties of N-benzyl-2-(2-methyl-1,3-benzoxazol-6-yl)-N-propan-2-ylacetamide?
N-benzyl-2-(2-methyl-1,3-benzoxazol-6-yl)-N-propan-2-ylacetamide has a molecular weight of 322.41 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-methyl-1,3-benzoxazol-6-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 110771979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).