cyclopentyl (2S)-2-[4-[3-[9-(hydroxyamino)-2,9-dioxononyl]phenoxy]butanoylamino]-2-phenylacetate

C32H42N2O7 — CID 148823494

IUPACcyclopentyl (2S)-2-[4-[3-[9-(hydroxyamino)-2,9-dioxononyl]phenoxy]butanoylamino]-2-phenylacetate
SMILESO=C(CCCCCCC(=O)NO)Cc1cccc(OCCCC(=O)N[C@H](C(=O)OC2CCCC2)c2ccccc2)c1
InChIInChI=1S/C32H42N2O7/c35-26(15-6-1-2-7-19-30(37)34-39)22-24-12-10-18-28(23-24)40-21-11-20-29(36)33-31(25-13-4-3-5-14-25)32(38)41-27-16-8-9-17-27/h3-5,10,12-14,18,23,27,31,39H,1-2,6-9,11,15-17,19-22H2,(H,33,36)(H,34,37)/t31-/m0/s1
InChIKeyOSGBMEDVPYNFPF-HKBQPEDESA-N
MW566.70 g/mol
LogP5.15
Rot. Bonds18

About cyclopentyl (2S)-2-[4-[3-[9-(hydroxyamino)-2,9-dioxononyl]phenoxy]butanoylamino]-2-phenylacetate

cyclopentyl (2S)-2-[4-[3-[9-(hydroxyamino)-2,9-dioxononyl]phenoxy]butanoylamino]-2-phenylacetate (PubChem CID 148823494) has the molecular formula C32H42N2O7 and a molecular weight of 566.70 g/mol. Its IUPAC name is cyclopentyl (2S)-2-[4-[3-[9-(hydroxyamino)-2,9-dioxononyl]phenoxy]butanoylamino]-2-phenylacetate.

Molecular Properties

Compound Namecyclopentyl (2S)-2-[4-[3-[9-(hydroxyamino)-2,9-dioxononyl]phenoxy]butanoylamino]-2-phenylacetate
PubChem CID148823494
Molecular FormulaC32H42N2O7
Molecular Weight566.70 g/mol
Exact Mass566.30
IUPAC Namecyclopentyl (2S)-2-[4-[3-[9-(hydroxyamino)-2,9-dioxononyl]phenoxy]butanoylamino]-2-phenylacetate
SMILESO=C(CCCCCCC(=O)NO)Cc1cccc(OCCCC(=O)N[C@H](C(=O)OC2CCCC2)c2ccccc2)c1
InChIInChI=1S/C32H42N2O7/c35-26(15-6-1-2-7-19-30(37)34-39)22-24-12-10-18-28(23-24)40-21-11-20-29(36)33-31(25-13-4-3-5-14-25)32(38)41-27-16-8-9-17-27/h3-5,10,12-14,18,23,27,31,39H,1-2,6-9,11,15-17,19-22H2,(H,33,36)(H,34,37)/t31-/m0/s1
InChIKeyOSGBMEDVPYNFPF-HKBQPEDESA-N
XLogP5.15
TPSA131.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.70
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'}

Analyze cyclopentyl (2S)-2-[4-[3-[9-(hydroxyamino)-2,9-dioxononyl]phenoxy]butanoylamino]-2-phenylacetate with MolForge

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Related Compounds

N-(2-amino-2-oxo-1-phenylethyl)-4-(3-bromophenoxy)butanamide
CID 51308711
methyl (2S)-2-[4-[3-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenoxy]butanoylamino]-3-phenylpropanoate
CID 90211862
cyclopentyl (2S)-2-[[3-[9-(ethoxyamino)-2,9-dioxononyl]phenyl]methoxycarbonylamino]-3-phenylpropanoate
CID 147763764
7-(3-ethylphenoxy)-N-hydroxyheptanamide
CID 39364757
cyclopentyl (2S)-2-[[3-(5-ethoxy-2,4-dioxopentyl)phenyl]methylcarbamoylamino]-2-phenylacetate
CID 161086489
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-phenoxybutanamide
CID 110287024
2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 51289830
cyclopentyl (2S)-2-[[2-[8-(hydroxyamino)-8-oxooctanoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methylamino]-2-phenylacetate
CID 15941545
11-phenoxy-N-(1-phenyl-3-sulfanylpropan-2-yl)undecanamide
CID 18466550
3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 62625154
cyclopentyl 2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-phenylacetate
CID 59918989
(2S)-N-cyclopentyl-8-oxo-2-[(2-phenylacetyl)amino]decanamide
CID 69321917

Frequently Asked Questions

What is the IUPAC name of cyclopentyl (2S)-2-[4-[3-[9-(hydroxyamino)-2,9-dioxononyl]phenoxy]butanoylamino]-2-phenylacetate?
The IUPAC name of cyclopentyl (2S)-2-[4-[3-[9-(hydroxyamino)-2,9-dioxononyl]phenoxy]butanoylamino]-2-phenylacetate (CID 148823494) is cyclopentyl (2S)-2-[4-[3-[9-(hydroxyamino)-2,9-dioxononyl]phenoxy]butanoylamino]-2-phenylacetate.
What is the SMILES notation for cyclopentyl (2S)-2-[4-[3-[9-(hydroxyamino)-2,9-dioxononyl]phenoxy]butanoylamino]-2-phenylacetate?
The canonical SMILES for cyclopentyl (2S)-2-[4-[3-[9-(hydroxyamino)-2,9-dioxononyl]phenoxy]butanoylamino]-2-phenylacetate is O=C(CCCCCCC(=O)NO)Cc1cccc(OCCCC(=O)N[C@H](C(=O)OC2CCCC2)c2ccccc2)c1.
What is the InChIKey of cyclopentyl (2S)-2-[4-[3-[9-(hydroxyamino)-2,9-dioxononyl]phenoxy]butanoylamino]-2-phenylacetate?
The InChIKey is OSGBMEDVPYNFPF-HKBQPEDESA-N. The full InChI is InChI=1S/C32H42N2O7/c35-26(15-6-1-2-7-19-30(37)34-39)22-24-12-10-18-28(23-24)40-21-11-20-29(36)33-31(25-13-4-3-5-14-25)32(38)41-27-16-8-9-17-27/h3-5,10,12-14,18,23,27,31,39H,1-2,6-9,11,15-17,19-22H2,(H,33,36)(H,34,37)/t31-/m0/s1.
What are the key properties of cyclopentyl (2S)-2-[4-[3-[9-(hydroxyamino)-2,9-dioxononyl]phenoxy]butanoylamino]-2-phenylacetate?
cyclopentyl (2S)-2-[4-[3-[9-(hydroxyamino)-2,9-dioxononyl]phenoxy]butanoylamino]-2-phenylacetate has a molecular weight of 566.70 g/mol, XLogP of 5.15, 18 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (2S)-2-[4-[3-[9-(hydroxyamino)-2,9-dioxononyl]phenoxy]butanoylamino]-2-phenylacetate is sourced from PubChem (CID 148823494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).