2-hydroxy-2,2-bis(3-methylphenyl)-N'-[(1R)-1-(3-methylphenyl)ethyl]acetohydrazide

C25H28N2O2 — CID 1009881

IUPAC2-hydroxy-2,2-bis(3-methylphenyl)-N'-[(1R)-1-(3-methylphenyl)ethyl]acetohydrazide
SMILESCc1cccc([C@@H](C)NNC(=O)C(O)(c2cccc(C)c2)c2cccc(C)c2)c1
InChIInChI=1S/C25H28N2O2/c1-17-8-5-11-21(14-17)20(4)26-27-24(28)25(29,22-12-6-9-18(2)15-22)23-13-7-10-19(3)16-23/h5-16,20,26,29H,1-4H3,(H,27,28)/t20-/m1/s1
InChIKeyFBRFJWLCWWHQNO-HXUWFJFHSA-N
MW388.51 g/mol
LogP4.23
Rot. Bonds6

About 2-hydroxy-2,2-bis(3-methylphenyl)-N'-[(1R)-1-(3-methylphenyl)ethyl]acetohydrazide

2-hydroxy-2,2-bis(3-methylphenyl)-N'-[(1R)-1-(3-methylphenyl)ethyl]acetohydrazide (PubChem CID 1009881) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-hydroxy-2,2-bis(3-methylphenyl)-N'-[(1R)-1-(3-methylphenyl)ethyl]acetohydrazide.

Molecular Properties

Compound Name2-hydroxy-2,2-bis(3-methylphenyl)-N'-[(1R)-1-(3-methylphenyl)ethyl]acetohydrazide
PubChem CID1009881
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name2-hydroxy-2,2-bis(3-methylphenyl)-N'-[(1R)-1-(3-methylphenyl)ethyl]acetohydrazide
SMILESCc1cccc([C@@H](C)NNC(=O)C(O)(c2cccc(C)c2)c2cccc(C)c2)c1
InChIInChI=1S/C25H28N2O2/c1-17-8-5-11-21(14-17)20(4)26-27-24(28)25(29,22-12-6-9-18(2)15-22)23-13-7-10-19(3)16-23/h5-16,20,26,29H,1-4H3,(H,27,28)/t20-/m1/s1
InChIKeyFBRFJWLCWWHQNO-HXUWFJFHSA-N
XLogP4.23
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
CID 81361059
2-hydroxy-N',2,2-tris(3-methylphenyl)acetohydrazide
CID 4016272
2-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81360390
methyl 2-methyl-2-[1-(3-methylphenyl)ethylamino]propanoate
CID 43787172
2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanoic acid
CID 81363547
(R)-2-methyl-N-[1-(3-methylphenyl)ethyl]propane-2-sulfinamide
CID 140937180
3-chloro-2,2-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81360770
2-hydroxy-2-methyl-3-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoic acid
CID 104644812
methyl 2-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoate
CID 81363693
methyl 2-[1-(3-methylphenyl)ethylamino]propanoate
CID 60781961
N-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
CID 81361243
(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 79040987

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,2-bis(3-methylphenyl)-N'-[(1R)-1-(3-methylphenyl)ethyl]acetohydrazide?
The IUPAC name of 2-hydroxy-2,2-bis(3-methylphenyl)-N'-[(1R)-1-(3-methylphenyl)ethyl]acetohydrazide (CID 1009881) is 2-hydroxy-2,2-bis(3-methylphenyl)-N'-[(1R)-1-(3-methylphenyl)ethyl]acetohydrazide.
What is the SMILES notation for 2-hydroxy-2,2-bis(3-methylphenyl)-N'-[(1R)-1-(3-methylphenyl)ethyl]acetohydrazide?
The canonical SMILES for 2-hydroxy-2,2-bis(3-methylphenyl)-N'-[(1R)-1-(3-methylphenyl)ethyl]acetohydrazide is Cc1cccc([C@@H](C)NNC(=O)C(O)(c2cccc(C)c2)c2cccc(C)c2)c1.
What is the InChIKey of 2-hydroxy-2,2-bis(3-methylphenyl)-N'-[(1R)-1-(3-methylphenyl)ethyl]acetohydrazide?
The InChIKey is FBRFJWLCWWHQNO-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-17-8-5-11-21(14-17)20(4)26-27-24(28)25(29,22-12-6-9-18(2)15-22)23-13-7-10-19(3)16-23/h5-16,20,26,29H,1-4H3,(H,27,28)/t20-/m1/s1.
What are the key properties of 2-hydroxy-2,2-bis(3-methylphenyl)-N'-[(1R)-1-(3-methylphenyl)ethyl]acetohydrazide?
2-hydroxy-2,2-bis(3-methylphenyl)-N'-[(1R)-1-(3-methylphenyl)ethyl]acetohydrazide has a molecular weight of 388.51 g/mol, XLogP of 4.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,2-bis(3-methylphenyl)-N'-[(1R)-1-(3-methylphenyl)ethyl]acetohydrazide is sourced from PubChem (CID 1009881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).