N'-acetyl-5-[3-(1-pyrrolidin-1-ylethyl)phenoxy]pentanehydrazide

C19H29N3O3 — CID 70532703

IUPACN'-acetyl-5-[3-(1-pyrrolidin-1-ylethyl)phenoxy]pentanehydrazide
SMILESCC(=O)NNC(=O)CCCCOc1cccc(C(C)N2CCCC2)c1
InChIInChI=1S/C19H29N3O3/c1-15(22-11-4-5-12-22)17-8-7-9-18(14-17)25-13-6-3-10-19(24)21-20-16(2)23/h7-9,14-15H,3-6,10-13H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyFJEJJLBMSYOXFL-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.56
Rot. Bonds8

About N'-acetyl-5-[3-(1-pyrrolidin-1-ylethyl)phenoxy]pentanehydrazide

N'-acetyl-5-[3-(1-pyrrolidin-1-ylethyl)phenoxy]pentanehydrazide (PubChem CID 70532703) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N'-acetyl-5-[3-(1-pyrrolidin-1-ylethyl)phenoxy]pentanehydrazide.

Molecular Properties

Compound NameN'-acetyl-5-[3-(1-pyrrolidin-1-ylethyl)phenoxy]pentanehydrazide
PubChem CID70532703
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN'-acetyl-5-[3-(1-pyrrolidin-1-ylethyl)phenoxy]pentanehydrazide
SMILESCC(=O)NNC(=O)CCCCOc1cccc(C(C)N2CCCC2)c1
InChIInChI=1S/C19H29N3O3/c1-15(22-11-4-5-12-22)17-8-7-9-18(14-17)25-13-6-3-10-19(24)21-20-16(2)23/h7-9,14-15H,3-6,10-13H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyFJEJJLBMSYOXFL-UHFFFAOYSA-N
XLogP2.56
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(1-piperidin-1-ylethyl)phenoxy]propan-1-amine
CID 20567191
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N'-acetyl-3-(3-methylphenoxy)propanehydrazide
CID 30905648
4-(3-methylphenoxy)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 46512708
4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methylbutanamide
CID 78953849
3-(1-pyrrolidin-1-ylethyl)phenol
CID 13017918
N'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide
CID 26798980
N-[3-[3-(1-aminoethyl)phenoxy]propyl]acetamide
CID 20567171
3-[3-[(1R)-1-aminoethyl]phenoxy]-N-propan-2-ylpropanamide
CID 55190813
3-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide
CID 63365492
(1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 78934419
4-(3-propan-2-ylphenoxy)butanoyl chloride
CID 82041570

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-5-[3-(1-pyrrolidin-1-ylethyl)phenoxy]pentanehydrazide?
The IUPAC name of N'-acetyl-5-[3-(1-pyrrolidin-1-ylethyl)phenoxy]pentanehydrazide (CID 70532703) is N'-acetyl-5-[3-(1-pyrrolidin-1-ylethyl)phenoxy]pentanehydrazide.
What is the SMILES notation for N'-acetyl-5-[3-(1-pyrrolidin-1-ylethyl)phenoxy]pentanehydrazide?
The canonical SMILES for N'-acetyl-5-[3-(1-pyrrolidin-1-ylethyl)phenoxy]pentanehydrazide is CC(=O)NNC(=O)CCCCOc1cccc(C(C)N2CCCC2)c1.
What is the InChIKey of N'-acetyl-5-[3-(1-pyrrolidin-1-ylethyl)phenoxy]pentanehydrazide?
The InChIKey is FJEJJLBMSYOXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-15(22-11-4-5-12-22)17-8-7-9-18(14-17)25-13-6-3-10-19(24)21-20-16(2)23/h7-9,14-15H,3-6,10-13H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-acetyl-5-[3-(1-pyrrolidin-1-ylethyl)phenoxy]pentanehydrazide?
N'-acetyl-5-[3-(1-pyrrolidin-1-ylethyl)phenoxy]pentanehydrazide has a molecular weight of 347.46 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-5-[3-(1-pyrrolidin-1-ylethyl)phenoxy]pentanehydrazide is sourced from PubChem (CID 70532703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).