[3-(hydroxyamino)-3-hydroxyiminopropyl]-[[6-(3-phenylpropoxy)naphthalen-2-yl]methyl]carbamic acid

C24H27N3O5 — CID 173152671

IUPAC[3-(hydroxyamino)-3-hydroxyiminopropyl]-[[6-(3-phenylpropoxy)naphthalen-2-yl]methyl]carbamic acid
SMILESO=C(O)N(CCC(=NO)NO)Cc1ccc2cc(OCCCc3ccccc3)ccc2c1
InChIInChI=1S/C24H27N3O5/c28-24(29)27(13-12-23(25-30)26-31)17-19-8-9-21-16-22(11-10-20(21)15-19)32-14-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11,15-16,30-31H,4,7,12-14,17H2,(H,25,26)(H,28,29)
InChIKeyHEFBYOPBUNEWFT-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.49
Rot. Bonds10

About [3-(hydroxyamino)-3-hydroxyiminopropyl]-[[6-(3-phenylpropoxy)naphthalen-2-yl]methyl]carbamic acid

[3-(hydroxyamino)-3-hydroxyiminopropyl]-[[6-(3-phenylpropoxy)naphthalen-2-yl]methyl]carbamic acid (PubChem CID 173152671) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is [3-(hydroxyamino)-3-hydroxyiminopropyl]-[[6-(3-phenylpropoxy)naphthalen-2-yl]methyl]carbamic acid.

Molecular Properties

Compound Name[3-(hydroxyamino)-3-hydroxyiminopropyl]-[[6-(3-phenylpropoxy)naphthalen-2-yl]methyl]carbamic acid
PubChem CID173152671
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Name[3-(hydroxyamino)-3-hydroxyiminopropyl]-[[6-(3-phenylpropoxy)naphthalen-2-yl]methyl]carbamic acid
SMILESO=C(O)N(CCC(=NO)NO)Cc1ccc2cc(OCCCc3ccccc3)ccc2c1
InChIInChI=1S/C24H27N3O5/c28-24(29)27(13-12-23(25-30)26-31)17-19-8-9-21-16-22(11-10-20(21)15-19)32-14-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11,15-16,30-31H,4,7,12-14,17H2,(H,25,26)(H,28,29)
InChIKeyHEFBYOPBUNEWFT-UHFFFAOYSA-N
XLogP4.49
TPSA114.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [3-(hydroxyamino)-3-hydroxyiminopropyl]-[[6-(3-phenylpropoxy)naphthalen-2-yl]methyl]carbamic acid 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

3-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-propylamino]propanoic acid
CID 23121570
2-(3-phenylpropoxy)naphthalene
CID 13432986
2-[butyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol
CID 66689302
3-[benzyl-(2-naphthalen-2-yloxyacetyl)amino]propanamide
CID 27899305
2-[(3-phenylmethoxyphenyl)methyl-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]amino]ethanol
CID 66689958
N-methyl-1-[6-(5-phenylpentoxy)naphthalen-2-yl]methanamine
CID 66853441
3-[[6-[4-(2-chlorophenyl)butoxy]naphthalen-2-yl]methyl-(2-hydroxyethyl)amino]propanoic acid
CID 174496687
3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid
CID 82224138
2-bromo-N'-hydroxy-4-(3-phenylpropoxy)benzenecarboximidamide
CID 107278992
2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]ethanol
CID 66689165
4-naphthalen-2-yloxy-N-(2-phenylethyl)butan-1-amine
CID 10064569
trimethyl-[2-[[6-(3-phenylpropoxy)naphthalene-2-carbonyl]amino]ethyl]azanium
CID 139793428

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxyamino)-3-hydroxyiminopropyl]-[[6-(3-phenylpropoxy)naphthalen-2-yl]methyl]carbamic acid?
The IUPAC name of [3-(hydroxyamino)-3-hydroxyiminopropyl]-[[6-(3-phenylpropoxy)naphthalen-2-yl]methyl]carbamic acid (CID 173152671) is [3-(hydroxyamino)-3-hydroxyiminopropyl]-[[6-(3-phenylpropoxy)naphthalen-2-yl]methyl]carbamic acid.
What is the SMILES notation for [3-(hydroxyamino)-3-hydroxyiminopropyl]-[[6-(3-phenylpropoxy)naphthalen-2-yl]methyl]carbamic acid?
The canonical SMILES for [3-(hydroxyamino)-3-hydroxyiminopropyl]-[[6-(3-phenylpropoxy)naphthalen-2-yl]methyl]carbamic acid is O=C(O)N(CCC(=NO)NO)Cc1ccc2cc(OCCCc3ccccc3)ccc2c1.
What is the InChIKey of [3-(hydroxyamino)-3-hydroxyiminopropyl]-[[6-(3-phenylpropoxy)naphthalen-2-yl]methyl]carbamic acid?
The InChIKey is HEFBYOPBUNEWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c28-24(29)27(13-12-23(25-30)26-31)17-19-8-9-21-16-22(11-10-20(21)15-19)32-14-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11,15-16,30-31H,4,7,12-14,17H2,(H,25,26)(H,28,29).
What are the key properties of [3-(hydroxyamino)-3-hydroxyiminopropyl]-[[6-(3-phenylpropoxy)naphthalen-2-yl]methyl]carbamic acid?
[3-(hydroxyamino)-3-hydroxyiminopropyl]-[[6-(3-phenylpropoxy)naphthalen-2-yl]methyl]carbamic acid has a molecular weight of 437.50 g/mol, XLogP of 4.49, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxyamino)-3-hydroxyiminopropyl]-[[6-(3-phenylpropoxy)naphthalen-2-yl]methyl]carbamic acid is sourced from PubChem (CID 173152671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).