(2-hydrazinyl-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone

C15H23N3O2 — CID 107408587

IUPAC(2-hydrazinyl-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCc1ccc(NN)c(C(=O)N2CCCC(C)(O)CC2)c1
InChIInChI=1S/C15H23N3O2/c1-11-4-5-13(17-16)12(10-11)14(19)18-8-3-6-15(2,20)7-9-18/h4-5,10,17,20H,3,6-9,16H2,1-2H3
InChIKeyNRBVHTOKSXAHKA-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.66
Rot. Bonds2

About (2-hydrazinyl-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone

(2-hydrazinyl-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone (PubChem CID 107408587) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2-hydrazinyl-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name(2-hydrazinyl-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
PubChem CID107408587
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2-hydrazinyl-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCc1ccc(NN)c(C(=O)N2CCCC(C)(O)CC2)c1
InChIInChI=1S/C15H23N3O2/c1-11-4-5-13(17-16)12(10-11)14(19)18-8-3-6-15(2,20)7-9-18/h4-5,10,17,20H,3,6-9,16H2,1-2H3
InChIKeyNRBVHTOKSXAHKA-UHFFFAOYSA-N
XLogP1.66
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-hydrazinyl-5-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358333
(2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 70215265
(4-hydroxy-4-methylazepan-1-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 107406227
(4-hydrazinyl-6-methyl-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81249021
4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione
CID 66062632
(4-hydroxy-4-methylazepan-1-yl)-(2-methyl-5-sulfanylphenyl)methanone
CID 107408933
(2,4-dihydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406432
(4-hydroxy-4-methylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone
CID 86680849
(4-hydroxy-4-methylazepan-1-yl)-(2-methyl-5-methylsulfanylphenyl)methanone
CID 107406546
(2-chlorophenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406239
(2,4-difluoro-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406836
(4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone
CID 107406615

Frequently Asked Questions

What is the IUPAC name of (2-hydrazinyl-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The IUPAC name of (2-hydrazinyl-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone (CID 107408587) is (2-hydrazinyl-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone.
What is the SMILES notation for (2-hydrazinyl-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The canonical SMILES for (2-hydrazinyl-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone is Cc1ccc(NN)c(C(=O)N2CCCC(C)(O)CC2)c1.
What is the InChIKey of (2-hydrazinyl-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The InChIKey is NRBVHTOKSXAHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-4-5-13(17-16)12(10-11)14(19)18-8-3-6-15(2,20)7-9-18/h4-5,10,17,20H,3,6-9,16H2,1-2H3.
What are the key properties of (2-hydrazinyl-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
(2-hydrazinyl-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 1.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydrazinyl-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone is sourced from PubChem (CID 107408587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).