N-[[2-(aminomethyl)phenyl]methyl]-6-hydroxyoctadecanamide

C26H46N2O2 — CID 101321543

IUPACN-[[2-(aminomethyl)phenyl]methyl]-6-hydroxyoctadecanamide
SMILESCCCCCCCCCCCCC(O)CCCCC(=O)NCc1ccccc1CN
InChIInChI=1S/C26H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-18-25(29)19-14-15-20-26(30)28-22-24-17-13-12-16-23(24)21-27/h12-13,16-17,25,29H,2-11,14-15,18-22,27H2,1H3,(H,28,30)
InChIKeyZNGYHFGQVYEYPM-UHFFFAOYSA-N
MW418.67 g/mol
LogP5.99
Rot. Bonds19

About N-[[2-(aminomethyl)phenyl]methyl]-6-hydroxyoctadecanamide

N-[[2-(aminomethyl)phenyl]methyl]-6-hydroxyoctadecanamide (PubChem CID 101321543) has the molecular formula C26H46N2O2 and a molecular weight of 418.67 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-6-hydroxyoctadecanamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-6-hydroxyoctadecanamide
PubChem CID101321543
Molecular FormulaC26H46N2O2
Molecular Weight418.67 g/mol
Exact Mass418.36
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-6-hydroxyoctadecanamide
SMILESCCCCCCCCCCCCC(O)CCCCC(=O)NCc1ccccc1CN
InChIInChI=1S/C26H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-18-25(29)19-14-15-20-26(30)28-22-24-17-13-12-16-23(24)21-27/h12-13,16-17,25,29H,2-11,14-15,18-22,27H2,1H3,(H,28,30)
InChIKeyZNGYHFGQVYEYPM-UHFFFAOYSA-N
XLogP5.99
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.67
LogP ≤ 55.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[(tricosanoylamino)methyl]phenyl]methyl]tricosanamide
CID 101291084
N-[(2-hydroxyphenyl)methyl]octadecanamide
CID 154122787
12-hydroxy-N-[2-(12-hydroxyoctadecanoylamino)phenyl]octadecanamide
CID 70182552
N-[(2-chlorophenyl)methyl]tetradecanamide
CID 54789460
7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide
CID 57266771
15-hydroxy-N-[[3-[(15-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide
CID 101321577
N-[(2-fluorophenyl)methyl]hexanamide
CID 17068300
7-hydroxy-N-octadecyloctadecanamide
CID 57160535
N-[[4-(aminomethyl)phenyl]methyl]heptanamide
CID 114751908
12-hydroxy-N-(2-hydroxyhexyl)octadecanamide
CID 22735081
N-benzylundecanamide
CID 5078198
11-hydroxyoctadecanehydrazide;hydrochloride
CID 159475941

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-6-hydroxyoctadecanamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-6-hydroxyoctadecanamide (CID 101321543) is N-[[2-(aminomethyl)phenyl]methyl]-6-hydroxyoctadecanamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-6-hydroxyoctadecanamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-6-hydroxyoctadecanamide is CCCCCCCCCCCCC(O)CCCCC(=O)NCc1ccccc1CN.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-6-hydroxyoctadecanamide?
The InChIKey is ZNGYHFGQVYEYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-18-25(29)19-14-15-20-26(30)28-22-24-17-13-12-16-23(24)21-27/h12-13,16-17,25,29H,2-11,14-15,18-22,27H2,1H3,(H,28,30).
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-6-hydroxyoctadecanamide?
N-[[2-(aminomethyl)phenyl]methyl]-6-hydroxyoctadecanamide has a molecular weight of 418.67 g/mol, XLogP of 5.99, 19 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-6-hydroxyoctadecanamide is sourced from PubChem (CID 101321543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).