N-[5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxyhexan-2-yl]-2-methylpropanamide

C20H32N2O4 — CID 22970380

IUPACN-[5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxyhexan-2-yl]-2-methylpropanamide
SMILESCc1cccc(C)c1OCC(=O)NC(C)C(O)CC(C)NC(=O)C(C)C
InChIInChI=1S/C20H32N2O4/c1-12(2)20(25)21-15(5)10-17(23)16(6)22-18(24)11-26-19-13(3)8-7-9-14(19)4/h7-9,12,15-17,23H,10-11H2,1-6H3,(H,21,25)(H,22,24)
InChIKeyLSLZQJTYYCWSEI-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.10
Rot. Bonds9

About N-[5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxyhexan-2-yl]-2-methylpropanamide

N-[5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxyhexan-2-yl]-2-methylpropanamide (PubChem CID 22970380) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxyhexan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxyhexan-2-yl]-2-methylpropanamide
PubChem CID22970380
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC NameN-[5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxyhexan-2-yl]-2-methylpropanamide
SMILESCc1cccc(C)c1OCC(=O)NC(C)C(O)CC(C)NC(=O)C(C)C
InChIInChI=1S/C20H32N2O4/c1-12(2)20(25)21-15(5)10-17(23)16(6)22-18(24)11-26-19-13(3)8-7-9-14(19)4/h7-9,12,15-17,23H,10-11H2,1-6H3,(H,21,25)(H,22,24)
InChIKeyLSLZQJTYYCWSEI-UHFFFAOYSA-N
XLogP2.10
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 112612258
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 115957680
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 47112988
2-(2,6-dimethylphenoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 79247450
methyl (2R)-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-methylbutanoate
CID 40938621
2-(2,6-dimethylphenoxy)-N-[4-(furan-2-yl)butan-2-yl]acetamide
CID 18162432
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-pentan-2-ylacetamide
CID 115957606
2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 171381792
2-(2,6-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941067
2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide
CID 116820679
2-(2,6-dimethylphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716567
2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 115952813

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxyhexan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxyhexan-2-yl]-2-methylpropanamide (CID 22970380) is N-[5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxyhexan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxyhexan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxyhexan-2-yl]-2-methylpropanamide is Cc1cccc(C)c1OCC(=O)NC(C)C(O)CC(C)NC(=O)C(C)C.
What is the InChIKey of N-[5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxyhexan-2-yl]-2-methylpropanamide?
The InChIKey is LSLZQJTYYCWSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-12(2)20(25)21-15(5)10-17(23)16(6)22-18(24)11-26-19-13(3)8-7-9-14(19)4/h7-9,12,15-17,23H,10-11H2,1-6H3,(H,21,25)(H,22,24).
What are the key properties of N-[5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxyhexan-2-yl]-2-methylpropanamide?
N-[5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxyhexan-2-yl]-2-methylpropanamide has a molecular weight of 364.49 g/mol, XLogP of 2.10, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxyhexan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 22970380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).