(2R)-N'-[[4-(dimethylamino)phenyl]methyl]-2,4-dihydroxy-3,3-dimethylbutanehydrazide

C15H25N3O3 — CID 24835923

IUPAC(2R)-N'-[[4-(dimethylamino)phenyl]methyl]-2,4-dihydroxy-3,3-dimethylbutanehydrazide
SMILESCN(C)c1ccc(CNNC(=O)[C@H](O)C(C)(C)CO)cc1
InChIInChI=1S/C15H25N3O3/c1-15(2,10-19)13(20)14(21)17-16-9-11-5-7-12(8-6-11)18(3)4/h5-8,13,16,19-20H,9-10H2,1-4H3,(H,17,21)/t13-/m0/s1
InChIKeyZDVHMQAPSQDEBJ-ZDUSSCGKSA-N
MW295.38 g/mol
LogP0.25
Rot. Bonds7

About (2R)-N'-[[4-(dimethylamino)phenyl]methyl]-2,4-dihydroxy-3,3-dimethylbutanehydrazide

(2R)-N'-[[4-(dimethylamino)phenyl]methyl]-2,4-dihydroxy-3,3-dimethylbutanehydrazide (PubChem CID 24835923) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2R)-N'-[[4-(dimethylamino)phenyl]methyl]-2,4-dihydroxy-3,3-dimethylbutanehydrazide.

Molecular Properties

Compound Name(2R)-N'-[[4-(dimethylamino)phenyl]methyl]-2,4-dihydroxy-3,3-dimethylbutanehydrazide
PubChem CID24835923
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name(2R)-N'-[[4-(dimethylamino)phenyl]methyl]-2,4-dihydroxy-3,3-dimethylbutanehydrazide
SMILESCN(C)c1ccc(CNNC(=O)[C@H](O)C(C)(C)CO)cc1
InChIInChI=1S/C15H25N3O3/c1-15(2,10-19)13(20)14(21)17-16-9-11-5-7-12(8-6-11)18(3)4/h5-8,13,16,19-20H,9-10H2,1-4H3,(H,17,21)/t13-/m0/s1
InChIKeyZDVHMQAPSQDEBJ-ZDUSSCGKSA-N
XLogP0.25
TPSA84.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N'-benzyl-2,4-dihydroxy-3,3-dimethylbutanehydrazide
CID 3048066
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 46830480
N-[[4-(dimethylamino)phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 110879983
N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoroacetamide
CID 62489903
2-[[4-(dimethylamino)phenyl]methylamino]-2-ethylpropane-1,3-diol
CID 113344548
2-(aminomethyl)-N-tert-butyl-3-[4-(dimethylamino)phenyl]propanamide
CID 62082409
2-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2-methylbutan-1-ol
CID 81412116
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide
CID 61250496
(2R)-2,4-dihydroxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 25170715
(2R)-N-[3-(benzylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 25172418
(2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 93083040
2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 43499772

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-[[4-(dimethylamino)phenyl]methyl]-2,4-dihydroxy-3,3-dimethylbutanehydrazide?
The IUPAC name of (2R)-N'-[[4-(dimethylamino)phenyl]methyl]-2,4-dihydroxy-3,3-dimethylbutanehydrazide (CID 24835923) is (2R)-N'-[[4-(dimethylamino)phenyl]methyl]-2,4-dihydroxy-3,3-dimethylbutanehydrazide.
What is the SMILES notation for (2R)-N'-[[4-(dimethylamino)phenyl]methyl]-2,4-dihydroxy-3,3-dimethylbutanehydrazide?
The canonical SMILES for (2R)-N'-[[4-(dimethylamino)phenyl]methyl]-2,4-dihydroxy-3,3-dimethylbutanehydrazide is CN(C)c1ccc(CNNC(=O)[C@H](O)C(C)(C)CO)cc1.
What is the InChIKey of (2R)-N'-[[4-(dimethylamino)phenyl]methyl]-2,4-dihydroxy-3,3-dimethylbutanehydrazide?
The InChIKey is ZDVHMQAPSQDEBJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-15(2,10-19)13(20)14(21)17-16-9-11-5-7-12(8-6-11)18(3)4/h5-8,13,16,19-20H,9-10H2,1-4H3,(H,17,21)/t13-/m0/s1.
What are the key properties of (2R)-N'-[[4-(dimethylamino)phenyl]methyl]-2,4-dihydroxy-3,3-dimethylbutanehydrazide?
(2R)-N'-[[4-(dimethylamino)phenyl]methyl]-2,4-dihydroxy-3,3-dimethylbutanehydrazide has a molecular weight of 295.38 g/mol, XLogP of 0.25, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-[[4-(dimethylamino)phenyl]methyl]-2,4-dihydroxy-3,3-dimethylbutanehydrazide is sourced from PubChem (CID 24835923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).