4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylamino]-N'-hydrazinylbenzenecarboximidamide

C22H31N5O3 — CID 142867042

IUPAC4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylamino]-N'-hydrazinylbenzenecarboximidamide
SMILESCCCc1c(OCCCCNc2ccc(/C(N)=N/NN)cc2)ccc(C(C)=O)c1O
InChIInChI=1S/C22H31N5O3/c1-3-6-19-20(12-11-18(15(2)28)21(19)29)30-14-5-4-13-25-17-9-7-16(8-10-17)22(23)26-27-24/h7-12,25,27,29H,3-6,13-14,24H2,1-2H3,(H2,23,26)
InChIKeyAOWAKGNIXYFUEJ-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.90
Rot. Bonds12

About 4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylamino]-N'-hydrazinylbenzenecarboximidamide

4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylamino]-N'-hydrazinylbenzenecarboximidamide (PubChem CID 142867042) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylamino]-N'-hydrazinylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylamino]-N'-hydrazinylbenzenecarboximidamide
PubChem CID142867042
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC Name4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylamino]-N'-hydrazinylbenzenecarboximidamide
SMILESCCCc1c(OCCCCNc2ccc(/C(N)=N/NN)cc2)ccc(C(C)=O)c1O
InChIInChI=1S/C22H31N5O3/c1-3-6-19-20(12-11-18(15(2)28)21(19)29)30-14-5-4-13-25-17-9-7-16(8-10-17)22(23)26-27-24/h7-12,25,27,29H,3-6,13-14,24H2,1-2H3,(H2,23,26)
InChIKeyAOWAKGNIXYFUEJ-UHFFFAOYSA-N
XLogP2.90
TPSA134.99 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylamino]-N'-hydrazinylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[4-(3,3-dimethylbutanoyl)-3-hydroxy-2-propylphenoxy]butoxy]-N'-hydrazinylbenzenecarboximidamide
CID 142867043
1-(2-hydroxy-4-pentoxy-3-propylphenyl)ethanone thiocyanate
CID 21294042
1-[4-(3,3-dihydroxypropoxy)-2-hydroxy-3-propylphenyl]ethanone
CID 70485136
ethyl 4-[6-acetyl-3-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethoxy]-2-propylphenoxy]butanoate
CID 19830310
4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-3-fluorophenyl]-4-oxobutanoic acid
CID 19884711
4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenyl]-3,3-dimethyl-4-oxobutanoic acid
CID 19884729
1-[2-hydroxy-4-[3-(2-nitrophenoxy)propoxy]-3-propylphenyl]ethanone
CID 19851997
sodium 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]phenyl]-4-oxobutanoate
CID 23666068
methyl 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenyl]acetate
CID 10620999
6-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]phenyl]-6-oxohexanoic acid
CID 54293706
4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-hydroxy-3-prop-2-enylbenzoic acid
CID 13019340
1-[2-hydroxy-4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-3-propylphenyl]ethanone
CID 94036703

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylamino]-N'-hydrazinylbenzenecarboximidamide?
The IUPAC name of 4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylamino]-N'-hydrazinylbenzenecarboximidamide (CID 142867042) is 4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylamino]-N'-hydrazinylbenzenecarboximidamide.
What is the SMILES notation for 4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylamino]-N'-hydrazinylbenzenecarboximidamide?
The canonical SMILES for 4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylamino]-N'-hydrazinylbenzenecarboximidamide is CCCc1c(OCCCCNc2ccc(/C(N)=N/NN)cc2)ccc(C(C)=O)c1O.
What is the InChIKey of 4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylamino]-N'-hydrazinylbenzenecarboximidamide?
The InChIKey is AOWAKGNIXYFUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-3-6-19-20(12-11-18(15(2)28)21(19)29)30-14-5-4-13-25-17-9-7-16(8-10-17)22(23)26-27-24/h7-12,25,27,29H,3-6,13-14,24H2,1-2H3,(H2,23,26).
What are the key properties of 4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylamino]-N'-hydrazinylbenzenecarboximidamide?
4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylamino]-N'-hydrazinylbenzenecarboximidamide has a molecular weight of 413.52 g/mol, XLogP of 2.90, 12 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylamino]-N'-hydrazinylbenzenecarboximidamide is sourced from PubChem (CID 142867042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).