formaldehyde;N-hexyl-4-[(4-hydroxybutylamino)methyl]-N-pentylbenzamide;methanol

C25H46N2O4 — CID 142267477

IUPACformaldehyde;N-hexyl-4-[(4-hydroxybutylamino)methyl]-N-pentylbenzamide;methanol
SMILESC=O.CCCCCCN(CCCCC)C(=O)c1ccc(CNCCCCO)cc1.CO
InChIInChI=1S/C23H40N2O2.CH4O.CH2O/c1-3-5-7-10-18-25(17-9-6-4-2)23(27)22-14-12-21(13-15-22)20-24-16-8-11-19-26;2*1-2/h12-15,24,26H,3-11,16-20H2,1-2H3;2H,1H3;1H2
InChIKeyNFIAZJDFCBURHT-UHFFFAOYSA-N
MW438.65 g/mol
LogP4.18
Rot. Bonds16

About formaldehyde;N-hexyl-4-[(4-hydroxybutylamino)methyl]-N-pentylbenzamide;methanol

formaldehyde;N-hexyl-4-[(4-hydroxybutylamino)methyl]-N-pentylbenzamide;methanol (PubChem CID 142267477) has the molecular formula C25H46N2O4 and a molecular weight of 438.65 g/mol. Its IUPAC name is formaldehyde;N-hexyl-4-[(4-hydroxybutylamino)methyl]-N-pentylbenzamide;methanol.

Molecular Properties

Compound Nameformaldehyde;N-hexyl-4-[(4-hydroxybutylamino)methyl]-N-pentylbenzamide;methanol
PubChem CID142267477
Molecular FormulaC25H46N2O4
Molecular Weight438.65 g/mol
Exact Mass438.35
IUPAC Nameformaldehyde;N-hexyl-4-[(4-hydroxybutylamino)methyl]-N-pentylbenzamide;methanol
SMILESC=O.CCCCCCN(CCCCC)C(=O)c1ccc(CNCCCCO)cc1.CO
InChIInChI=1S/C23H40N2O2.CH4O.CH2O/c1-3-5-7-10-18-25(17-9-6-4-2)23(27)22-14-12-21(13-15-22)20-24-16-8-11-19-26;2*1-2/h12-15,24,26H,3-11,16-20H2,1-2H3;2H,1H3;1H2
InChIKeyNFIAZJDFCBURHT-UHFFFAOYSA-N
XLogP4.18
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.65
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-nonylphenyl)methylamino]butan-1-ol
CID 70951495
4-[[3-(dihydroxyamino)propylamino]methyl]-N-heptyl-N-methylbenzamide;ethane
CID 142267550
4-ethyl-N,N-dihexylbenzamide
CID 533235
N-butyl-N-decyl-4-ethylbenzamide
CID 91714679
formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine
CID 142267456
formaldehyde;N-[(4-heptylphenyl)methyl]butan-1-amine;methanol
CID 142267281
N-[(hexylamino)methyl]-4-[4-[(hexylamino)methyl-pentylcarbamoyl]phenyl]-N-pentylbenzamide
CID 139955775
ethane;formaldehyde;methanol;N-[(4-nonylphenyl)methyl]butan-1-amine;propane
CID 142267356
4-[(heptylamino)methyl]-N-methylbenzamide
CID 43114052
[4-[(nonylamino)methyl]phenyl]methanol
CID 107230873
N-hexyl-N-(2-hydroxyethyl)benzamide
CID 61215400
4-formyl-N-hexyl-N-pentylbenzamide
CID 59994993

Frequently Asked Questions

What is the IUPAC name of formaldehyde;N-hexyl-4-[(4-hydroxybutylamino)methyl]-N-pentylbenzamide;methanol?
The IUPAC name of formaldehyde;N-hexyl-4-[(4-hydroxybutylamino)methyl]-N-pentylbenzamide;methanol (CID 142267477) is formaldehyde;N-hexyl-4-[(4-hydroxybutylamino)methyl]-N-pentylbenzamide;methanol.
What is the SMILES notation for formaldehyde;N-hexyl-4-[(4-hydroxybutylamino)methyl]-N-pentylbenzamide;methanol?
The canonical SMILES for formaldehyde;N-hexyl-4-[(4-hydroxybutylamino)methyl]-N-pentylbenzamide;methanol is C=O.CCCCCCN(CCCCC)C(=O)c1ccc(CNCCCCO)cc1.CO.
What is the InChIKey of formaldehyde;N-hexyl-4-[(4-hydroxybutylamino)methyl]-N-pentylbenzamide;methanol?
The InChIKey is NFIAZJDFCBURHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O2.CH4O.CH2O/c1-3-5-7-10-18-25(17-9-6-4-2)23(27)22-14-12-21(13-15-22)20-24-16-8-11-19-26;2*1-2/h12-15,24,26H,3-11,16-20H2,1-2H3;2H,1H3;1H2.
What are the key properties of formaldehyde;N-hexyl-4-[(4-hydroxybutylamino)methyl]-N-pentylbenzamide;methanol?
formaldehyde;N-hexyl-4-[(4-hydroxybutylamino)methyl]-N-pentylbenzamide;methanol has a molecular weight of 438.65 g/mol, XLogP of 4.18, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;N-hexyl-4-[(4-hydroxybutylamino)methyl]-N-pentylbenzamide;methanol is sourced from PubChem (CID 142267477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).