formaldehyde;4-[(3-hydroxypropylamino)methyl]-N-[2-(4-methylphenyl)ethyl]benzamide;methanol

C22H32N2O4 — CID 142267383

IUPACformaldehyde;4-[(3-hydroxypropylamino)methyl]-N-[2-(4-methylphenyl)ethyl]benzamide;methanol
SMILESC=O.CO.Cc1ccc(CCNC(=O)c2ccc(CNCCCO)cc2)cc1
InChIInChI=1S/C20H26N2O2.CH4O.CH2O/c1-16-3-5-17(6-4-16)11-13-22-20(24)19-9-7-18(8-10-19)15-21-12-2-14-23;2*1-2/h3-10,21,23H,2,11-15H2,1H3,(H,22,24);2H,1H3;1H2
InChIKeyDJQZREPRMLVIER-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.86
Rot. Bonds9

About formaldehyde;4-[(3-hydroxypropylamino)methyl]-N-[2-(4-methylphenyl)ethyl]benzamide;methanol

formaldehyde;4-[(3-hydroxypropylamino)methyl]-N-[2-(4-methylphenyl)ethyl]benzamide;methanol (PubChem CID 142267383) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is formaldehyde;4-[(3-hydroxypropylamino)methyl]-N-[2-(4-methylphenyl)ethyl]benzamide;methanol.

Molecular Properties

Compound Nameformaldehyde;4-[(3-hydroxypropylamino)methyl]-N-[2-(4-methylphenyl)ethyl]benzamide;methanol
PubChem CID142267383
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Nameformaldehyde;4-[(3-hydroxypropylamino)methyl]-N-[2-(4-methylphenyl)ethyl]benzamide;methanol
SMILESC=O.CO.Cc1ccc(CCNC(=O)c2ccc(CNCCCO)cc2)cc1
InChIInChI=1S/C20H26N2O2.CH4O.CH2O/c1-16-3-5-17(6-4-16)11-13-22-20(24)19-9-7-18(8-10-19)15-21-12-2-14-23;2*1-2/h3-10,21,23H,2,11-15H2,1H3,(H,22,24);2H,1H3;1H2
InChIKeyDJQZREPRMLVIER-UHFFFAOYSA-N
XLogP1.86
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-iodophenyl)methylamino]ethyl]-4-methylbenzamide
CID 65476353
4-(methylamino)-N-[2-(4-methylphenyl)ethyl]benzamide
CID 115161110
ethane;N-(3-hydroxypropyl)-4-methylbenzamide;4-methylbenzamide
CID 143035952
N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide
CID 82097442
4-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 167811683
4-[2-(4-methylphenyl)ethylamino]butan-1-ol
CID 115217735
3-[(4-propylphenyl)methylamino]propan-1-ol
CID 94681283
formaldehyde;N-hexyl-4-[(4-hydroxybutylamino)methyl]-N-pentylbenzamide;methanol
CID 142267477
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide
CID 7997620
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-methylbenzamide
CID 16889356
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
N-[(4-methylphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17053119

Frequently Asked Questions

What is the IUPAC name of formaldehyde;4-[(3-hydroxypropylamino)methyl]-N-[2-(4-methylphenyl)ethyl]benzamide;methanol?
The IUPAC name of formaldehyde;4-[(3-hydroxypropylamino)methyl]-N-[2-(4-methylphenyl)ethyl]benzamide;methanol (CID 142267383) is formaldehyde;4-[(3-hydroxypropylamino)methyl]-N-[2-(4-methylphenyl)ethyl]benzamide;methanol.
What is the SMILES notation for formaldehyde;4-[(3-hydroxypropylamino)methyl]-N-[2-(4-methylphenyl)ethyl]benzamide;methanol?
The canonical SMILES for formaldehyde;4-[(3-hydroxypropylamino)methyl]-N-[2-(4-methylphenyl)ethyl]benzamide;methanol is C=O.CO.Cc1ccc(CCNC(=O)c2ccc(CNCCCO)cc2)cc1.
What is the InChIKey of formaldehyde;4-[(3-hydroxypropylamino)methyl]-N-[2-(4-methylphenyl)ethyl]benzamide;methanol?
The InChIKey is DJQZREPRMLVIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.CH4O.CH2O/c1-16-3-5-17(6-4-16)11-13-22-20(24)19-9-7-18(8-10-19)15-21-12-2-14-23;2*1-2/h3-10,21,23H,2,11-15H2,1H3,(H,22,24);2H,1H3;1H2.
What are the key properties of formaldehyde;4-[(3-hydroxypropylamino)methyl]-N-[2-(4-methylphenyl)ethyl]benzamide;methanol?
formaldehyde;4-[(3-hydroxypropylamino)methyl]-N-[2-(4-methylphenyl)ethyl]benzamide;methanol has a molecular weight of 388.51 g/mol, XLogP of 1.86, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;4-[(3-hydroxypropylamino)methyl]-N-[2-(4-methylphenyl)ethyl]benzamide;methanol is sourced from PubChem (CID 142267383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).