N-(3-hydroxypropyl)-2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylacetamide

C16H25NO4 — CID 61038899

IUPACN-(3-hydroxypropyl)-2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylacetamide
SMILESCOc1cc(C)ccc1OCC(=O)N(CCCO)C(C)C
InChIInChI=1S/C16H25NO4/c1-12(2)17(8-5-9-18)16(19)11-21-14-7-6-13(3)10-15(14)20-4/h6-7,10,12,18H,5,8-9,11H2,1-4H3
InChIKeyMCPVWXJBOPZEAO-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.00
Rot. Bonds8

About N-(3-hydroxypropyl)-2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylacetamide

N-(3-hydroxypropyl)-2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylacetamide (PubChem CID 61038899) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylacetamide
PubChem CID61038899
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC NameN-(3-hydroxypropyl)-2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylacetamide
SMILESCOc1cc(C)ccc1OCC(=O)N(CCCO)C(C)C
InChIInChI=1S/C16H25NO4/c1-12(2)17(8-5-9-18)16(19)11-21-14-7-6-13(3)10-15(14)20-4/h6-7,10,12,18H,5,8-9,11H2,1-4H3
InChIKeyMCPVWXJBOPZEAO-UHFFFAOYSA-N
XLogP2.00
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dimethylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 61039897
2-(4-bromo-2-fluorophenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61038556
N,N-diethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 60626763
N-(3-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)-N-propan-2-ylacetamide
CID 61039698
N-butyl-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 78785126
2-[2-[3-hydroxypropyl(propan-2-yl)amino]-2-oxoethoxy]benzamide
CID 61039674
2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039056
2-(4-chloro-3-methylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039684
2-(2-methoxy-4-methylphenoxy)-N-methyl-N-phenylacetamide
CID 78765522
4-ethoxy-N-(2-hydroxyethyl)-3-methoxy-N-propan-2-ylbenzamide
CID 43573393
4-bromo-N-(3-hydroxypropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 61039164
3-[[2-(2-methoxy-5-methylphenyl)acetyl]-propan-2-ylamino]propanoic acid
CID 60830398

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylacetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylacetamide (CID 61038899) is N-(3-hydroxypropyl)-2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylacetamide is COc1cc(C)ccc1OCC(=O)N(CCCO)C(C)C.
What is the InChIKey of N-(3-hydroxypropyl)-2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylacetamide?
The InChIKey is MCPVWXJBOPZEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-12(2)17(8-5-9-18)16(19)11-21-14-7-6-13(3)10-15(14)20-4/h6-7,10,12,18H,5,8-9,11H2,1-4H3.
What are the key properties of N-(3-hydroxypropyl)-2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylacetamide?
N-(3-hydroxypropyl)-2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylacetamide has a molecular weight of 295.38 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylacetamide is sourced from PubChem (CID 61038899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).