N-[4-[2-[(2-aminoacetyl)amino]phenyl]phenyl]-N'-hydroxyoctanediamide

C22H28N4O4 — CID 25032062

IUPACN-[4-[2-[(2-aminoacetyl)amino]phenyl]phenyl]-N'-hydroxyoctanediamide
SMILESNCC(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
InChIInChI=1S/C22H28N4O4/c23-15-22(29)25-19-8-6-5-7-18(19)16-11-13-17(14-12-16)24-20(27)9-3-1-2-4-10-21(28)26-30/h5-8,11-14,30H,1-4,9-10,15,23H2,(H,24,27)(H,25,29)(H,26,28)
InChIKeyKRHTTZGDEYILMI-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.04
Rot. Bonds11

About N-[4-[2-[(2-aminoacetyl)amino]phenyl]phenyl]-N'-hydroxyoctanediamide

N-[4-[2-[(2-aminoacetyl)amino]phenyl]phenyl]-N'-hydroxyoctanediamide (PubChem CID 25032062) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[4-[2-[(2-aminoacetyl)amino]phenyl]phenyl]-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-[4-[2-[(2-aminoacetyl)amino]phenyl]phenyl]-N'-hydroxyoctanediamide
PubChem CID25032062
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC NameN-[4-[2-[(2-aminoacetyl)amino]phenyl]phenyl]-N'-hydroxyoctanediamide
SMILESNCC(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
InChIInChI=1S/C22H28N4O4/c23-15-22(29)25-19-8-6-5-7-18(19)16-11-13-17(14-12-16)24-20(27)9-3-1-2-4-10-21(28)26-30/h5-8,11-14,30H,1-4,9-10,15,23H2,(H,24,27)(H,25,29)(H,26,28)
InChIKeyKRHTTZGDEYILMI-UHFFFAOYSA-N
XLogP3.04
TPSA133.55 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.04
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

N-[4-[2-[(2-aminoacetyl)amino]phenyl]-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide
CID 25030885
N-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide
CID 143322146
2-amino-N-(4-phenylphenyl)acetamide
CID 43218250
N'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide
CID 45254124
7-amino-N-[2-(3,4,5-trifluorophenyl)phenyl]heptanamide;hydrochloride
CID 119813719
N-[4-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]phenyl]-N'-phenylmethoxyoctanediamide
CID 16733769
8-oxo-8-(4-phenylanilino)octanoic acid
CID 23092302
N'-hydroxy-N-phenyloctanediamide;piperazine
CID 24824516
4-hydroxy-N-(4-phenylphenyl)butanamide
CID 79192454
N-[4-(2-aminophenyl)phenyl]-6-[(2-sulfanylacetyl)amino]hexanamide
CID 25032156
7-amino-N-(4-anilinophenyl)heptanamide
CID 119676142
N-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide
CID 166628013

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2-aminoacetyl)amino]phenyl]phenyl]-N'-hydroxyoctanediamide?
The IUPAC name of N-[4-[2-[(2-aminoacetyl)amino]phenyl]phenyl]-N'-hydroxyoctanediamide (CID 25032062) is N-[4-[2-[(2-aminoacetyl)amino]phenyl]phenyl]-N'-hydroxyoctanediamide.
What is the SMILES notation for N-[4-[2-[(2-aminoacetyl)amino]phenyl]phenyl]-N'-hydroxyoctanediamide?
The canonical SMILES for N-[4-[2-[(2-aminoacetyl)amino]phenyl]phenyl]-N'-hydroxyoctanediamide is NCC(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1.
What is the InChIKey of N-[4-[2-[(2-aminoacetyl)amino]phenyl]phenyl]-N'-hydroxyoctanediamide?
The InChIKey is KRHTTZGDEYILMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c23-15-22(29)25-19-8-6-5-7-18(19)16-11-13-17(14-12-16)24-20(27)9-3-1-2-4-10-21(28)26-30/h5-8,11-14,30H,1-4,9-10,15,23H2,(H,24,27)(H,25,29)(H,26,28).
What are the key properties of N-[4-[2-[(2-aminoacetyl)amino]phenyl]phenyl]-N'-hydroxyoctanediamide?
N-[4-[2-[(2-aminoacetyl)amino]phenyl]phenyl]-N'-hydroxyoctanediamide has a molecular weight of 412.49 g/mol, XLogP of 3.04, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2-aminoacetyl)amino]phenyl]phenyl]-N'-hydroxyoctanediamide is sourced from PubChem (CID 25032062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).