N-[3-[1-[2-(4-phenylmethoxyphenyl)ethylamino]hexyl]phenyl]acetamide

C29H36N2O2 — CID 70412384

IUPACN-[3-[1-[2-(4-phenylmethoxyphenyl)ethylamino]hexyl]phenyl]acetamide
SMILESCCCCCC(NCCc1ccc(OCc2ccccc2)cc1)c1cccc(NC(C)=O)c1
InChIInChI=1S/C29H36N2O2/c1-3-4-6-14-29(26-12-9-13-27(21-26)31-23(2)32)30-20-19-24-15-17-28(18-16-24)33-22-25-10-7-5-8-11-25/h5,7-13,15-18,21,29-30H,3-4,6,14,19-20,22H2,1-2H3,(H,31,32)
InChIKeyJVPZBKRDVFOYOX-UHFFFAOYSA-N
MW444.62 g/mol
LogP6.68
Rot. Bonds13

About N-[3-[1-[2-(4-phenylmethoxyphenyl)ethylamino]hexyl]phenyl]acetamide

N-[3-[1-[2-(4-phenylmethoxyphenyl)ethylamino]hexyl]phenyl]acetamide (PubChem CID 70412384) has the molecular formula C29H36N2O2 and a molecular weight of 444.62 g/mol. Its IUPAC name is N-[3-[1-[2-(4-phenylmethoxyphenyl)ethylamino]hexyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[2-(4-phenylmethoxyphenyl)ethylamino]hexyl]phenyl]acetamide
PubChem CID70412384
Molecular FormulaC29H36N2O2
Molecular Weight444.62 g/mol
Exact Mass444.28
IUPAC NameN-[3-[1-[2-(4-phenylmethoxyphenyl)ethylamino]hexyl]phenyl]acetamide
SMILESCCCCCC(NCCc1ccc(OCc2ccccc2)cc1)c1cccc(NC(C)=O)c1
InChIInChI=1S/C29H36N2O2/c1-3-4-6-14-29(26-12-9-13-27(21-26)31-23(2)32)30-20-19-24-15-17-28(18-16-24)33-22-25-10-7-5-8-11-25/h5,7-13,15-18,21,29-30H,3-4,6,14,19-20,22H2,1-2H3,(H,31,32)
InChIKeyJVPZBKRDVFOYOX-UHFFFAOYSA-N
XLogP6.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[3-[1-(2-phenylethylamino)pentyl]phenyl]urea
CID 70411925
N-[5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyphenyl]acetamide
CID 70412672
1-phenyl-3-[1-[2-(4-phenylmethoxyphenyl)ethylamino]pentyl]urea
CID 88645298
5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyaniline
CID 70412352
4-[2-[1-(3-nitro-4-phenylmethoxyphenyl)pentylamino]ethyl]aniline
CID 70411446
1-(4-phenylmethoxyphenyl)hexan-1-ol
CID 65145694
N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide
CID 54822027
4-[(3-acetamidophenoxy)methyl]benzoic acid
CID 28829525
1-(4-phenylmethoxyphenyl)heptadecan-1-ol
CID 139807758
3-methyloctan-2-one;1-(4-phenylmethoxyphenyl)propan-2-one
CID 142081046
N-[3-(pentanoylamino)phenyl]-4-(phenoxymethyl)benzamide
CID 2187605
1-[2-hydroxy-5-[1-(2-phenylethylamino)pentyl]phenyl]-3-methylurea
CID 70411591

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(4-phenylmethoxyphenyl)ethylamino]hexyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[2-(4-phenylmethoxyphenyl)ethylamino]hexyl]phenyl]acetamide (CID 70412384) is N-[3-[1-[2-(4-phenylmethoxyphenyl)ethylamino]hexyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[2-(4-phenylmethoxyphenyl)ethylamino]hexyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[2-(4-phenylmethoxyphenyl)ethylamino]hexyl]phenyl]acetamide is CCCCCC(NCCc1ccc(OCc2ccccc2)cc1)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[1-[2-(4-phenylmethoxyphenyl)ethylamino]hexyl]phenyl]acetamide?
The InChIKey is JVPZBKRDVFOYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O2/c1-3-4-6-14-29(26-12-9-13-27(21-26)31-23(2)32)30-20-19-24-15-17-28(18-16-24)33-22-25-10-7-5-8-11-25/h5,7-13,15-18,21,29-30H,3-4,6,14,19-20,22H2,1-2H3,(H,31,32).
What are the key properties of N-[3-[1-[2-(4-phenylmethoxyphenyl)ethylamino]hexyl]phenyl]acetamide?
N-[3-[1-[2-(4-phenylmethoxyphenyl)ethylamino]hexyl]phenyl]acetamide has a molecular weight of 444.62 g/mol, XLogP of 6.68, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(4-phenylmethoxyphenyl)ethylamino]hexyl]phenyl]acetamide is sourced from PubChem (CID 70412384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).