2-[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylamino]-2-phenylacetic acid

C23H29N3O5 — CID 73201416

IUPAC2-[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylamino]-2-phenylacetic acid
SMILESO=C(CCCCCCC(=O)Nc1ccc(CNC(C(=O)O)c2ccccc2)cc1)NO
InChIInChI=1S/C23H29N3O5/c27-20(10-6-1-2-7-11-21(28)26-31)25-19-14-12-17(13-15-19)16-24-22(23(29)30)18-8-4-3-5-9-18/h3-5,8-9,12-15,22,24,31H,1-2,6-7,10-11,16H2,(H,25,27)(H,26,28)(H,29,30)
InChIKeyBKOTWGYGBLTPKM-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.39
Rot. Bonds13

About 2-[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylamino]-2-phenylacetic acid

2-[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylamino]-2-phenylacetic acid (PubChem CID 73201416) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylamino]-2-phenylacetic acid
PubChem CID73201416
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Name2-[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylamino]-2-phenylacetic acid
SMILESO=C(CCCCCCC(=O)Nc1ccc(CNC(C(=O)O)c2ccccc2)cc1)NO
InChIInChI=1S/C23H29N3O5/c27-20(10-6-1-2-7-11-21(28)26-31)25-19-14-12-17(13-15-19)16-24-22(23(29)30)18-8-4-3-5-9-18/h3-5,8-9,12-15,22,24,31H,1-2,6-7,10-11,16H2,(H,25,27)(H,26,28)(H,29,30)
InChIKeyBKOTWGYGBLTPKM-UHFFFAOYSA-N
XLogP3.39
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

(2S)-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid
CID 87239867
N'-hydroxy-N-phenyloctanediamide;piperazine
CID 24824516
(2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid
CID 68782379
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
(2R)-2-(benzylamino)-N,2-diphenylacetamide
CID 101449959
N'-hydroxy-N-[4-[4-(methylamino)-4-oxobutyl]phenyl]octanediamide
CID 126539842
cyclopentyl 2-[[(R)-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]-phenylmethyl]amino]acetate
CID 87658971
N'-hydroxy-N-phenyloctanediamide;morpholine
CID 24824514
(2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid
CID 122038518
N-benzyl-N'-(4-methylphenyl)decanediamide
CID 173311347
N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-3-phenylbutanamide
CID 11359314
bis[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methyl] 4,4-dimethylheptanedioate
CID 163974356

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylamino]-2-phenylacetic acid?
The IUPAC name of 2-[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylamino]-2-phenylacetic acid (CID 73201416) is 2-[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylamino]-2-phenylacetic acid is O=C(CCCCCCC(=O)Nc1ccc(CNC(C(=O)O)c2ccccc2)cc1)NO.
What is the InChIKey of 2-[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylamino]-2-phenylacetic acid?
The InChIKey is BKOTWGYGBLTPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5/c27-20(10-6-1-2-7-11-21(28)26-31)25-19-14-12-17(13-15-19)16-24-22(23(29)30)18-8-4-3-5-9-18/h3-5,8-9,12-15,22,24,31H,1-2,6-7,10-11,16H2,(H,25,27)(H,26,28)(H,29,30).
What are the key properties of 2-[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylamino]-2-phenylacetic acid?
2-[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylamino]-2-phenylacetic acid has a molecular weight of 427.50 g/mol, XLogP of 3.39, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylamino]-2-phenylacetic acid is sourced from PubChem (CID 73201416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).