2-(3-hydroxy-N-methylanilino)-N-(3-methoxypropyl)acetamide

C13H20N2O3 — CID 75430959

IUPAC2-(3-hydroxy-N-methylanilino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)c1cccc(O)c1
InChIInChI=1S/C13H20N2O3/c1-15(11-5-3-6-12(16)9-11)10-13(17)14-7-4-8-18-2/h3,5-6,9,16H,4,7-8,10H2,1-2H3,(H,14,17)
InChIKeyUAPYHHMQKQKHPJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.98
Rot. Bonds7

About 2-(3-hydroxy-N-methylanilino)-N-(3-methoxypropyl)acetamide

2-(3-hydroxy-N-methylanilino)-N-(3-methoxypropyl)acetamide (PubChem CID 75430959) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(3-hydroxy-N-methylanilino)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-N-methylanilino)-N-(3-methoxypropyl)acetamide
PubChem CID75430959
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(3-hydroxy-N-methylanilino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)c1cccc(O)c1
InChIInChI=1S/C13H20N2O3/c1-15(11-5-3-6-12(16)9-11)10-13(17)14-7-4-8-18-2/h3,5-6,9,16H,4,7-8,10H2,1-2H3,(H,14,17)
InChIKeyUAPYHHMQKQKHPJ-UHFFFAOYSA-N
XLogP0.98
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 78871572
4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51098419
2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 43326339
2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51307796
N-[3-(furan-2-ylmethoxy)propyl]-2-(N-methylanilino)acetamide
CID 86914416
2-[(3-bromophenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 60707775
2-(4-acetyl-3-amino-N-methylanilino)-N-(2-methoxyethyl)acetamide
CID 104528615
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(3-methoxypropyl)acetamide
CID 90605768
2-[(7-fluoroquinolin-2-yl)-methylamino]-N-(3-methoxypropyl)acetamide
CID 71871271
2-(4-formyl-N-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54989562
3-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
CID 104741760

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-N-methylanilino)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(3-hydroxy-N-methylanilino)-N-(3-methoxypropyl)acetamide (CID 75430959) is 2-(3-hydroxy-N-methylanilino)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(3-hydroxy-N-methylanilino)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(3-hydroxy-N-methylanilino)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(C)c1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxy-N-methylanilino)-N-(3-methoxypropyl)acetamide?
The InChIKey is UAPYHHMQKQKHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15(11-5-3-6-12(16)9-11)10-13(17)14-7-4-8-18-2/h3,5-6,9,16H,4,7-8,10H2,1-2H3,(H,14,17).
What are the key properties of 2-(3-hydroxy-N-methylanilino)-N-(3-methoxypropyl)acetamide?
2-(3-hydroxy-N-methylanilino)-N-(3-methoxypropyl)acetamide has a molecular weight of 252.31 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-N-methylanilino)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 75430959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).