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

C16H25NO3 — CID 61039698

IUPACN-(3-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)-N-propan-2-ylacetamide
SMILESCOc1cc(CC(=O)N(CCCO)C(C)C)ccc1C
InChIInChI=1S/C16H25NO3/c1-12(2)17(8-5-9-18)16(19)11-14-7-6-13(3)15(10-14)20-4/h6-7,10,12,18H,5,8-9,11H2,1-4H3
InChIKeyGUEFHLSFFQVLNP-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.17
Rot. Bonds7

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

N-(3-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)-N-propan-2-ylacetamide (PubChem CID 61039698) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)-N-propan-2-ylacetamide
PubChem CID61039698
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-(3-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)-N-propan-2-ylacetamide
SMILESCOc1cc(CC(=O)N(CCCO)C(C)C)ccc1C
InChIInChI=1S/C16H25NO3/c1-12(2)17(8-5-9-18)16(19)11-14-7-6-13(3)15(10-14)20-4/h6-7,10,12,18H,5,8-9,11H2,1-4H3
InChIKeyGUEFHLSFFQVLNP-UHFFFAOYSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039056
N-(3-aminopropyl)-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide
CID 43136651
N-(3-chloropropyl)-2-(3,4-dimethylphenyl)-N-propan-2-ylacetamide
CID 63390601
N-(3-hydroxypropyl)-N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 61038549
N-ethyl-N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 60701961
2-(4-ethoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039311
2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
CID 60701058
2-(3-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 54917289
3-(2,5-dimethylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 61039897
N-(3-hydroxypropyl)-2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylacetamide
CID 61038899
N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)-N-prop-2-enylacetamide
CID 115776203
propan-2-yl 2-(3-methoxy-4-methylphenyl)acetate
CID 112723040

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)-N-propan-2-ylacetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)-N-propan-2-ylacetamide (CID 61039698) is N-(3-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)-N-propan-2-ylacetamide is COc1cc(CC(=O)N(CCCO)C(C)C)ccc1C.
What is the InChIKey of N-(3-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)-N-propan-2-ylacetamide?
The InChIKey is GUEFHLSFFQVLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(2)17(8-5-9-18)16(19)11-14-7-6-13(3)15(10-14)20-4/h6-7,10,12,18H,5,8-9,11H2,1-4H3.
What are the key properties of N-(3-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)-N-propan-2-ylacetamide?
N-(3-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)-N-propan-2-ylacetamide has a molecular weight of 279.38 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 61039698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).