methane;2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide

C22H31N3O2 — CID 158357127

IUPACmethane;2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide
SMILESC.NNC(=O)Cc1ccc(CCc2cccc(CN3CCOCC3)c2)cc1
InChIInChI=1S/C21H27N3O2.CH4/c22-23-21(25)15-19-8-5-17(6-9-19)4-7-18-2-1-3-20(14-18)16-24-10-12-26-13-11-24;/h1-3,5-6,8-9,14H,4,7,10-13,15-16,22H2,(H,23,25);1H4
InChIKeyGTAASYVHYGVTLP-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.47
Rot. Bonds7

About methane;2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide

methane;2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide (PubChem CID 158357127) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is methane;2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide.

Molecular Properties

Compound Namemethane;2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide
PubChem CID158357127
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Namemethane;2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide
SMILESC.NNC(=O)Cc1ccc(CCc2cccc(CN3CCOCC3)c2)cc1
InChIInChI=1S/C21H27N3O2.CH4/c22-23-21(25)15-19-8-5-17(6-9-19)4-7-18-2-1-3-20(14-18)16-24-10-12-26-13-11-24;/h1-3,5-6,8-9,14H,4,7,10-13,15-16,22H2,(H,23,25);1H4
InChIKeyGTAASYVHYGVTLP-UHFFFAOYSA-N
XLogP2.47
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride
CID 67030384
2-[4-[2-(3-morpholin-4-ylphenyl)ethyl]phenyl]acetohydrazide;dihydrochloride
CID 67030157
2-[3-(morpholin-4-ylmethyl)phenyl]ethylphosphonic acid
CID 155789739
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
2-(2-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 94136673
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid
CID 56716837
1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(4-propylphenyl)urea
CID 112838284
2-(3,4-dimethoxyphenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 55815087
3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119847390
3-[[16-[(3-aminophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]aniline
CID 15495103
2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 119847373

Frequently Asked Questions

What is the IUPAC name of methane;2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide?
The IUPAC name of methane;2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide (CID 158357127) is methane;2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide.
What is the SMILES notation for methane;2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide?
The canonical SMILES for methane;2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide is C.NNC(=O)Cc1ccc(CCc2cccc(CN3CCOCC3)c2)cc1.
What is the InChIKey of methane;2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide?
The InChIKey is GTAASYVHYGVTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.CH4/c22-23-21(25)15-19-8-5-17(6-9-19)4-7-18-2-1-3-20(14-18)16-24-10-12-26-13-11-24;/h1-3,5-6,8-9,14H,4,7,10-13,15-16,22H2,(H,23,25);1H4.
What are the key properties of methane;2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide?
methane;2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide has a molecular weight of 369.51 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide is sourced from PubChem (CID 158357127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).