cyclopentyl 2-cyclohexyl-2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]acetate

C23H34N2O4 — CID 74423775

IUPACcyclopentyl 2-cyclohexyl-2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]acetate
SMILESO=C(CCc1ccc(CNC(C(=O)OC2CCCC2)C2CCCCC2)cc1)NO
InChIInChI=1S/C23H34N2O4/c26-21(25-28)15-14-17-10-12-18(13-11-17)16-24-22(19-6-2-1-3-7-19)23(27)29-20-8-4-5-9-20/h10-13,19-20,22,24,28H,1-9,14-16H2,(H,25,26)
InChIKeyVJNFFVZHSWYBGX-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.65
Rot. Bonds9

About cyclopentyl 2-cyclohexyl-2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]acetate

cyclopentyl 2-cyclohexyl-2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]acetate (PubChem CID 74423775) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is cyclopentyl 2-cyclohexyl-2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]acetate.

Molecular Properties

Compound Namecyclopentyl 2-cyclohexyl-2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]acetate
PubChem CID74423775
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Namecyclopentyl 2-cyclohexyl-2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]acetate
SMILESO=C(CCc1ccc(CNC(C(=O)OC2CCCC2)C2CCCCC2)cc1)NO
InChIInChI=1S/C23H34N2O4/c26-21(25-28)15-14-17-10-12-18(13-11-17)16-24-22(19-6-2-1-3-7-19)23(27)29-20-8-4-5-9-20/h10-13,19-20,22,24,28H,1-9,14-16H2,(H,25,26)
InChIKeyVJNFFVZHSWYBGX-UHFFFAOYSA-N
XLogP3.65
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze cyclopentyl 2-cyclohexyl-2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]acetate 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

cyclopentyl (2S)-2-cyclohexyl-2-[[4-[[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]methyl]phenyl]methylamino]acetate
CID 123438550
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-cyclohexyl-2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]acetate
CID 123630020
cyclopentyl 2-cyclohexyl-2-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]acetate
CID 126698968
(2S)-2-cyclohexyl-2-[[6-[3-(hydroxyamino)-3-oxopropyl]-3-pyridinyl]methylamino]acetic acid
CID 87239843
(3-methylcyclopentyl) (2S)-2-cyclohexyl-2-[[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]acetate
CID 123605470
cyclopentyl (2S)-2-cyclohexyl-2-[[4-[[8-[1-(2-methylpropoxy)ethoxyamino]-8-oxooctanoyl]amino]phenyl]methylamino]acetate
CID 86636514
(2-methylcyclopentyl) (2S)-2-cyclohexyl-2-[[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]acetate
CID 123216575
cyclopentyl 2-cyclohexyl-2-[[3-[[2-(hydroxycarbamoyl)-1-benzothiophen-6-yl]methylamino]phenyl]methylamino]acetate
CID 76677932
cyclopentyl (2S)-2-[[3-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylamino]-2-(6-methylcyclohexa-2,4-dien-1-yl)acetate
CID 139439369
cyclohexyl 3-(4-hydroxyphenyl)propanoate
CID 13086547
3-(4-cyclopentyloxyphenyl)propanehydrazide
CID 164513639
cyclopentyl 4-methyl-2-[(4-methylphenyl)methylamino]pentanoate
CID 90908653

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-cyclohexyl-2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]acetate?
The IUPAC name of cyclopentyl 2-cyclohexyl-2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]acetate (CID 74423775) is cyclopentyl 2-cyclohexyl-2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]acetate.
What is the SMILES notation for cyclopentyl 2-cyclohexyl-2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]acetate?
The canonical SMILES for cyclopentyl 2-cyclohexyl-2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]acetate is O=C(CCc1ccc(CNC(C(=O)OC2CCCC2)C2CCCCC2)cc1)NO.
What is the InChIKey of cyclopentyl 2-cyclohexyl-2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]acetate?
The InChIKey is VJNFFVZHSWYBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O4/c26-21(25-28)15-14-17-10-12-18(13-11-17)16-24-22(19-6-2-1-3-7-19)23(27)29-20-8-4-5-9-20/h10-13,19-20,22,24,28H,1-9,14-16H2,(H,25,26).
What are the key properties of cyclopentyl 2-cyclohexyl-2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]acetate?
cyclopentyl 2-cyclohexyl-2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]acetate has a molecular weight of 402.54 g/mol, XLogP of 3.65, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-cyclohexyl-2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]acetate is sourced from PubChem (CID 74423775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).