N-hydroxy-N-[3-[4-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]propyl]acetamide

C19H31N3O3 — CID 23381116

IUPACN-hydroxy-N-[3-[4-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]propyl]acetamide
SMILESCC(=O)N(O)CCCOc1ccc(CCCN2CCN(C)CC2)cc1
InChIInChI=1S/C19H31N3O3/c1-17(23)22(24)11-4-16-25-19-8-6-18(7-9-19)5-3-10-21-14-12-20(2)13-15-21/h6-9,24H,3-5,10-16H2,1-2H3
InChIKeyNQUVVXWAUHILBO-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.87
Rot. Bonds9

About N-hydroxy-N-[3-[4-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]propyl]acetamide

N-hydroxy-N-[3-[4-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]propyl]acetamide (PubChem CID 23381116) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-hydroxy-N-[3-[4-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]propyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-N-[3-[4-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]propyl]acetamide
PubChem CID23381116
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC NameN-hydroxy-N-[3-[4-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]propyl]acetamide
SMILESCC(=O)N(O)CCCOc1ccc(CCCN2CCN(C)CC2)cc1
InChIInChI=1S/C19H31N3O3/c1-17(23)22(24)11-4-16-25-19-8-6-18(7-9-19)5-3-10-21-14-12-20(2)13-15-21/h6-9,24H,3-5,10-16H2,1-2H3
InChIKeyNQUVVXWAUHILBO-UHFFFAOYSA-N
XLogP1.87
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]butan-2-one;hydrochloride
CID 2993897
1-[3-(4-hexadecoxyphenyl)propyl]-4-methylpiperazine
CID 170862537
3-[4-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]propyl 4-methylbenzenesulfonate
CID 170862606
1-[3-[4-[3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]propyl]phenoxy]propyl]-1-hydroxyurea;methane
CID 161324039
1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine
CID 2267460
1-[3-(4-benzylphenoxy)propyl]-4-methylpiperazine
CID 2994905
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798
1-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid
CID 2888407
1-[3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine
CID 170863707
4-[3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 22124604
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
1-methyl-4-[4-(4-prop-2-enoxyphenoxy)butyl]piperazine
CID 2993561

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[3-[4-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]propyl]acetamide?
The IUPAC name of N-hydroxy-N-[3-[4-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]propyl]acetamide (CID 23381116) is N-hydroxy-N-[3-[4-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]propyl]acetamide.
What is the SMILES notation for N-hydroxy-N-[3-[4-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]propyl]acetamide?
The canonical SMILES for N-hydroxy-N-[3-[4-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]propyl]acetamide is CC(=O)N(O)CCCOc1ccc(CCCN2CCN(C)CC2)cc1.
What is the InChIKey of N-hydroxy-N-[3-[4-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]propyl]acetamide?
The InChIKey is NQUVVXWAUHILBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-17(23)22(24)11-4-16-25-19-8-6-18(7-9-19)5-3-10-21-14-12-20(2)13-15-21/h6-9,24H,3-5,10-16H2,1-2H3.
What are the key properties of N-hydroxy-N-[3-[4-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]propyl]acetamide?
N-hydroxy-N-[3-[4-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]propyl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[3-[4-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]propyl]acetamide is sourced from PubChem (CID 23381116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).