N'-hydroxy-N-[4-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]phenyl]octanediamide

C25H32N4O4 — CID 73355189

IUPACN'-hydroxy-N-[4-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]phenyl]octanediamide
SMILESO=C(CCCCCCC(=O)Nc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN2)cc1)NO
InChIInChI=1S/C25H32N4O4/c30-23(11-3-1-2-4-12-24(31)29-33)27-19-15-13-18(14-16-19)20-8-5-6-9-21(20)28-25(32)22-10-7-17-26-22/h5-6,8-9,13-16,22,26,33H,1-4,7,10-12,17H2,(H,27,30)(H,28,32)(H,29,31)/t22-/m0/s1
InChIKeyQOKZTCUJJXJNPS-QFIPXVFZSA-N
MW452.56 g/mol
LogP3.83
Rot. Bonds11

About N'-hydroxy-N-[4-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]phenyl]octanediamide

N'-hydroxy-N-[4-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]phenyl]octanediamide (PubChem CID 73355189) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is N'-hydroxy-N-[4-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]phenyl]octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[4-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]phenyl]octanediamide
PubChem CID73355189
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC NameN'-hydroxy-N-[4-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]phenyl]octanediamide
SMILESO=C(CCCCCCC(=O)Nc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN2)cc1)NO
InChIInChI=1S/C25H32N4O4/c30-23(11-3-1-2-4-12-24(31)29-33)27-19-15-13-18(14-16-19)20-8-5-6-9-21(20)28-25(32)22-10-7-17-26-22/h5-6,8-9,13-16,22,26,33H,1-4,7,10-12,17H2,(H,27,30)(H,28,32)(H,29,31)/t22-/m0/s1
InChIKeyQOKZTCUJJXJNPS-QFIPXVFZSA-N
XLogP3.83
TPSA119.56 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.83
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

6-Ammonio-N-(Trifluoroacetyl)-L-Norleucyl-N-[4-(1-Methylethyl)phenyl]-L-Prolinamide
CID 445368
N1-(biphenyl-4-yl)-N8-hydroxyoctanediamide
CID 25032059
(S)-N8-Hydroxy-2-((R)-5-oxopyrrolidine-2-carboxamido)-N1-(3-(trifluoromethyl)phenyl)octanediamide
CID 72710871
Unii-U5Y9ckp3XR
CID 10392082
(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[4-[4-[[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]phenyl]pyrrolidine-2-carboxamide
CID 71272855
(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]-N-[4-[4-[[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]phenyl]pyrrolidine-2-carboxamide
CID 76314520
6-Ammonio-N-(Trifluoroacetyl)-L-Norleucyl-N-[4-(1-Methylethyl)phenyl]-L-Phenylalaninamide
CID 445370
(2S,3S)-3-(4-acetamidophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium
CID 23647706
Nalpha-{(2e)-3-[4-(Dimethylamino)phenyl]prop-2-Enoyl}-N-{(2s)-1-Oxo-3-[(3s)-2-Oxopyrrolidin-3-Yl]propan-2-Yl}-L-Phenylalaninamide
CID 44578236
(R)-N1-((S)-3,3-dimethyl-1-oxo-1-(phenylamino)butan-2-yl)-N4-hydroxy-2-(3-phenylpropyl)succinamide
CID 44368849
N-(1-anilino-3,3-dimethyl-1-oxobutan-2-yl)-N'-hydroxy-2-(3-phenylpropyl)butanediamide
CID 75018100
(S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(phenylamino)octan-2-yl)benzamide
CID 9864818

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-[4-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]phenyl]octanediamide?
The IUPAC name of N'-hydroxy-N-[4-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]phenyl]octanediamide (CID 73355189) is N'-hydroxy-N-[4-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]phenyl]octanediamide.
What is the SMILES notation for N'-hydroxy-N-[4-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]phenyl]octanediamide?
The canonical SMILES for N'-hydroxy-N-[4-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]phenyl]octanediamide is O=C(CCCCCCC(=O)Nc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN2)cc1)NO.
What is the InChIKey of N'-hydroxy-N-[4-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]phenyl]octanediamide?
The InChIKey is QOKZTCUJJXJNPS-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H32N4O4/c30-23(11-3-1-2-4-12-24(31)29-33)27-19-15-13-18(14-16-19)20-8-5-6-9-21(20)28-25(32)22-10-7-17-26-22/h5-6,8-9,13-16,22,26,33H,1-4,7,10-12,17H2,(H,27,30)(H,28,32)(H,29,31)/t22-/m0/s1.
What are the key properties of N'-hydroxy-N-[4-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]phenyl]octanediamide?
N'-hydroxy-N-[4-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]phenyl]octanediamide has a molecular weight of 452.56 g/mol, XLogP of 3.83, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[4-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]phenyl]octanediamide is sourced from PubChem (CID 73355189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).