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

C20H26ClN3O3 — CID 15982710

IUPAC2-amino-3-[4-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]phenyl]-N,N-dimethylpropanamide;hydrochloride
SMILESCN(C)C(=O)C(N)Cc1ccc(-c2ccc(CCC(=O)NO)cc2)cc1.Cl
InChIInChI=1S/C20H25N3O3.ClH/c1-23(2)20(25)18(21)13-15-5-10-17(11-6-15)16-8-3-14(4-9-16)7-12-19(24)22-26;/h3-6,8-11,18,26H,7,12-13,21H2,1-2H3,(H,22,24);1H
InChIKeyDJXQPNYZARJZFS-UHFFFAOYSA-N
MW391.90 g/mol
LogP2.17
Rot. Bonds7

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

2-amino-3-[4-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]phenyl]-N,N-dimethylpropanamide;hydrochloride (PubChem CID 15982710) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is 2-amino-3-[4-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]phenyl]-N,N-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[4-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]phenyl]-N,N-dimethylpropanamide;hydrochloride
PubChem CID15982710
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC Name2-amino-3-[4-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]phenyl]-N,N-dimethylpropanamide;hydrochloride
SMILESCN(C)C(=O)C(N)Cc1ccc(-c2ccc(CCC(=O)NO)cc2)cc1.Cl
InChIInChI=1S/C20H25N3O3.ClH/c1-23(2)20(25)18(21)13-15-5-10-17(11-6-15)16-8-3-14(4-9-16)7-12-19(24)22-26;/h3-6,8-11,18,26H,7,12-13,21H2,1-2H3,(H,22,24);1H
InChIKeyDJXQPNYZARJZFS-UHFFFAOYSA-N
XLogP2.17
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2-[3-(hydroxyamino)-3-oxopropyl]phenoxy]phenyl]-N,N-dimethylpropanamide;hydrochloride
CID 15982716
tert-butyl N-[1-(dimethylamino)-3-[4-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]phenyl]-1-oxopropan-2-yl]carbamate
CID 72551664
N-hydroxy-3-(4-phenylphenyl)propanamide
CID 22915508
(2S)-2-amino-N,N-dimethyl-3-pyridin-4-ylpropanamide
CID 67430342
(2S)-N,N-dimethyl-2-[(4-methylphenyl)sulfonylamino]-3-[4-[4-[3-oxo-3-(phosphanyloxyamino)propyl]phenyl]phenyl]propanamide
CID 89371068
2-amino-3-(3-bromophenyl)-N,N-dimethylpropanamide
CID 116850260
N-hydroxy-3-[4-(2-phenylethyl)phenyl]propanamide
CID 22986796
tert-butyl N-[1-(dimethylamino)-1-oxo-3-[4-[4-[3-oxo-3-(phenoxyamino)propyl]phenyl]phenyl]propan-2-yl]carbamate
CID 72551666
tert-butyl N-[3-[4-[4-(3-amino-3-oxopropyl)phenyl]phenyl]-1-(dimethylamino)-1-oxopropan-2-yl]carbamate
CID 69108648
N-hydroxy-3-(4-methylsulfanylphenyl)propanamide
CID 59191041
2-amino-3-[4-(3-oxobutyl)phenyl]propanoic acid
CID 59658427
2-amino-3-(4-ethylphenyl)-N-methylpropanehydrazide
CID 116849043

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]phenyl]-N,N-dimethylpropanamide;hydrochloride?
The IUPAC name of 2-amino-3-[4-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]phenyl]-N,N-dimethylpropanamide;hydrochloride (CID 15982710) is 2-amino-3-[4-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]phenyl]-N,N-dimethylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-[4-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]phenyl]-N,N-dimethylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-3-[4-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]phenyl]-N,N-dimethylpropanamide;hydrochloride is CN(C)C(=O)C(N)Cc1ccc(-c2ccc(CCC(=O)NO)cc2)cc1.Cl.
What is the InChIKey of 2-amino-3-[4-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]phenyl]-N,N-dimethylpropanamide;hydrochloride?
The InChIKey is DJXQPNYZARJZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3.ClH/c1-23(2)20(25)18(21)13-15-5-10-17(11-6-15)16-8-3-14(4-9-16)7-12-19(24)22-26;/h3-6,8-11,18,26H,7,12-13,21H2,1-2H3,(H,22,24);1H.
What are the key properties of 2-amino-3-[4-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]phenyl]-N,N-dimethylpropanamide;hydrochloride?
2-amino-3-[4-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]phenyl]-N,N-dimethylpropanamide;hydrochloride has a molecular weight of 391.90 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]phenyl]-N,N-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 15982710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).