2-amino-3-[4-[2-[3-(hydroxyamino)-3-oxopropyl]phenoxy]phenyl]-N,N-dimethylpropanamide;hydrochloride

C20H26ClN3O4 — CID 15982716

IUPAC2-amino-3-[4-[2-[3-(hydroxyamino)-3-oxopropyl]phenoxy]phenyl]-N,N-dimethylpropanamide;hydrochloride
SMILESCN(C)C(=O)C(N)Cc1ccc(Oc2ccccc2CCC(=O)NO)cc1.Cl
InChIInChI=1S/C20H25N3O4.ClH/c1-23(2)20(25)17(21)13-14-7-10-16(11-8-14)27-18-6-4-3-5-15(18)9-12-19(24)22-26;/h3-8,10-11,17,26H,9,12-13,21H2,1-2H3,(H,22,24);1H
InChIKeyPGCYLJKIEPUUEH-UHFFFAOYSA-N
MW407.90 g/mol
LogP2.30
Rot. Bonds8

About 2-amino-3-[4-[2-[3-(hydroxyamino)-3-oxopropyl]phenoxy]phenyl]-N,N-dimethylpropanamide;hydrochloride

2-amino-3-[4-[2-[3-(hydroxyamino)-3-oxopropyl]phenoxy]phenyl]-N,N-dimethylpropanamide;hydrochloride (PubChem CID 15982716) has the molecular formula C20H26ClN3O4 and a molecular weight of 407.90 g/mol. Its IUPAC name is 2-amino-3-[4-[2-[3-(hydroxyamino)-3-oxopropyl]phenoxy]phenyl]-N,N-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[4-[2-[3-(hydroxyamino)-3-oxopropyl]phenoxy]phenyl]-N,N-dimethylpropanamide;hydrochloride
PubChem CID15982716
Molecular FormulaC20H26ClN3O4
Molecular Weight407.90 g/mol
Exact Mass407.16
IUPAC Name2-amino-3-[4-[2-[3-(hydroxyamino)-3-oxopropyl]phenoxy]phenyl]-N,N-dimethylpropanamide;hydrochloride
SMILESCN(C)C(=O)C(N)Cc1ccc(Oc2ccccc2CCC(=O)NO)cc1.Cl
InChIInChI=1S/C20H25N3O4.ClH/c1-23(2)20(25)17(21)13-14-7-10-16(11-8-14)27-18-6-4-3-5-15(18)9-12-19(24)22-26;/h3-8,10-11,17,26H,9,12-13,21H2,1-2H3,(H,22,24);1H
InChIKeyPGCYLJKIEPUUEH-UHFFFAOYSA-N
XLogP2.30
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 52.30
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'}

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Related Compounds

2-amino-3-[4-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]phenyl]-N,N-dimethylpropanamide;hydrochloride
CID 15982710
3-[2-[4-[3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenoxy]phenyl]propanoic acid
CID 69129073
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one;hydrochloride
CID 159787435
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one
CID 59660716
2-amino-N-hydroxy-3-(4-naphthalen-2-yloxyphenyl)propanamide
CID 23148265
methyl (2S)-2-amino-3-[4-(2-cyanophenoxy)phenyl]propanoate
CID 131724973
3-[2-(4-chlorophenoxy)phenyl]propanoic acid
CID 2764439
[(2S)-1-(dimethylamino)-3-[4-[4-(hydroxycarbamoyl)phenoxy]phenyl]-1-oxopropan-2-yl]azanium
CID 143389743
(2R)-2-amino-N,N-dimethyl-3-[4-[4-[(3-nitro-2-pyridinyl)amino]phenoxy]phenyl]propanamide;dihydrochloride
CID 25142890
2-amino-3-[4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]phenyl]-N,N-dimethylpropanamide
CID 73036439
2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethylpropanamide
CID 61466661
(2S)-2-amino-N,N-dimethyl-3-pyridin-4-ylpropanamide
CID 67430342

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-[2-[3-(hydroxyamino)-3-oxopropyl]phenoxy]phenyl]-N,N-dimethylpropanamide;hydrochloride?
The IUPAC name of 2-amino-3-[4-[2-[3-(hydroxyamino)-3-oxopropyl]phenoxy]phenyl]-N,N-dimethylpropanamide;hydrochloride (CID 15982716) is 2-amino-3-[4-[2-[3-(hydroxyamino)-3-oxopropyl]phenoxy]phenyl]-N,N-dimethylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-[4-[2-[3-(hydroxyamino)-3-oxopropyl]phenoxy]phenyl]-N,N-dimethylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-3-[4-[2-[3-(hydroxyamino)-3-oxopropyl]phenoxy]phenyl]-N,N-dimethylpropanamide;hydrochloride is CN(C)C(=O)C(N)Cc1ccc(Oc2ccccc2CCC(=O)NO)cc1.Cl.
What is the InChIKey of 2-amino-3-[4-[2-[3-(hydroxyamino)-3-oxopropyl]phenoxy]phenyl]-N,N-dimethylpropanamide;hydrochloride?
The InChIKey is PGCYLJKIEPUUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4.ClH/c1-23(2)20(25)17(21)13-14-7-10-16(11-8-14)27-18-6-4-3-5-15(18)9-12-19(24)22-26;/h3-8,10-11,17,26H,9,12-13,21H2,1-2H3,(H,22,24);1H.
What are the key properties of 2-amino-3-[4-[2-[3-(hydroxyamino)-3-oxopropyl]phenoxy]phenyl]-N,N-dimethylpropanamide;hydrochloride?
2-amino-3-[4-[2-[3-(hydroxyamino)-3-oxopropyl]phenoxy]phenyl]-N,N-dimethylpropanamide;hydrochloride has a molecular weight of 407.90 g/mol, XLogP of 2.30, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-[2-[3-(hydroxyamino)-3-oxopropyl]phenoxy]phenyl]-N,N-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 15982716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).