N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(2-ethoxyphenoxy)acetamide

C22H26N2O4 — CID 9049601

IUPACN-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)N[C@@H](CC(C)C)c1nc2ccccc2o1
InChIInChI=1S/C22H26N2O4/c1-4-26-19-11-7-8-12-20(19)27-14-21(25)23-17(13-15(2)3)22-24-16-9-5-6-10-18(16)28-22/h5-12,15,17H,4,13-14H2,1-3H3,(H,23,25)/t17-/m0/s1
InChIKeyXRWMMMZXPFWLFM-KRWDZBQOSA-N
MW382.46 g/mol
LogP4.51
Rot. Bonds9

About N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(2-ethoxyphenoxy)acetamide

N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(2-ethoxyphenoxy)acetamide (PubChem CID 9049601) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(2-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(2-ethoxyphenoxy)acetamide
PubChem CID9049601
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)N[C@@H](CC(C)C)c1nc2ccccc2o1
InChIInChI=1S/C22H26N2O4/c1-4-26-19-11-7-8-12-20(19)27-14-21(25)23-17(13-15(2)3)22-24-16-9-5-6-10-18(16)28-22/h5-12,15,17H,4,13-14H2,1-3H3,(H,23,25)/t17-/m0/s1
InChIKeyXRWMMMZXPFWLFM-KRWDZBQOSA-N
XLogP4.51
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(2-cyanophenoxy)acetamide
CID 9049565
N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(4-bromophenoxy)acetamide
CID 9049595
N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9049482
N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-1-benzofuran-2-carboxamide
CID 9049628
N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-3,5-dimethoxybenzamide
CID 9049529
N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 9049656
3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461296
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 110278694
2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28958838
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2-ethoxyphenoxy)acetamide
CID 2673869
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(2-propan-2-ylphenoxy)acetohydrazide
CID 9471387

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(2-ethoxyphenoxy)acetamide?
The IUPAC name of N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(2-ethoxyphenoxy)acetamide (CID 9049601) is N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(2-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(2-ethoxyphenoxy)acetamide?
The canonical SMILES for N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(2-ethoxyphenoxy)acetamide is CCOc1ccccc1OCC(=O)N[C@@H](CC(C)C)c1nc2ccccc2o1.
What is the InChIKey of N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(2-ethoxyphenoxy)acetamide?
The InChIKey is XRWMMMZXPFWLFM-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-4-26-19-11-7-8-12-20(19)27-14-21(25)23-17(13-15(2)3)22-24-16-9-5-6-10-18(16)28-22/h5-12,15,17H,4,13-14H2,1-3H3,(H,23,25)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(2-ethoxyphenoxy)acetamide?
N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(2-ethoxyphenoxy)acetamide has a molecular weight of 382.46 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(2-ethoxyphenoxy)acetamide is sourced from PubChem (CID 9049601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).