N-[5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyphenyl]acetamide

C28H34N2O2 — CID 70412672

IUPACN-[5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyphenyl]acetamide
SMILESCCCCC(NCCc1ccccc1)c1ccc(OCc2ccccc2)c(NC(C)=O)c1
InChIInChI=1S/C28H34N2O2/c1-3-4-15-26(29-19-18-23-11-7-5-8-12-23)25-16-17-28(27(20-25)30-22(2)31)32-21-24-13-9-6-10-14-24/h5-14,16-17,20,26,29H,3-4,15,18-19,21H2,1-2H3,(H,30,31)
InChIKeyCBLIAXTUBQRWJC-UHFFFAOYSA-N
MW430.59 g/mol
LogP6.29
Rot. Bonds12

About N-[5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyphenyl]acetamide

N-[5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyphenyl]acetamide (PubChem CID 70412672) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is N-[5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyphenyl]acetamide
PubChem CID70412672
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC NameN-[5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyphenyl]acetamide
SMILESCCCCC(NCCc1ccccc1)c1ccc(OCc2ccccc2)c(NC(C)=O)c1
InChIInChI=1S/C28H34N2O2/c1-3-4-15-26(29-19-18-23-11-7-5-8-12-23)25-16-17-28(27(20-25)30-22(2)31)32-21-24-13-9-6-10-14-24/h5-14,16-17,20,26,29H,3-4,15,18-19,21H2,1-2H3,(H,30,31)
InChIKeyCBLIAXTUBQRWJC-UHFFFAOYSA-N
XLogP6.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyaniline
CID 70412352
4-[2-[1-(3-nitro-4-phenylmethoxyphenyl)pentylamino]ethyl]aniline
CID 70411446
N-[3-[1-[2-(4-phenylmethoxyphenyl)ethylamino]hexyl]phenyl]acetamide
CID 70412384
1-[2-hydroxy-5-[1-(2-phenylethylamino)pentyl]phenyl]-3-methylurea
CID 70411591
N-[5-[(1R)-1-hydroxy-3-phenylpropyl]-2-phenylmethoxyphenyl]methanesulfonamide
CID 173182413
1-(3-methoxy-4-phenylmethoxyphenyl)-N-propylpropan-1-amine
CID 133207496
[5-[2-[2-(2-butyl-4-phenylmethoxyphenyl)ethylamino]ethyl]-2-phenylmethoxyphenyl]urea
CID 70412957
1-phenyl-3-[1-[2-(4-phenylmethoxyphenyl)ethylamino]pentyl]urea
CID 88645298
methyl 2-(2-phenylethylamino)hexanoate
CID 103868302
N-(4-phenylmethoxy-3-propylphenyl)acetamide
CID 57080743
butyl N-[5-(2-chloroethyl)-2-phenylmethoxyphenyl]carbamate
CID 10215615
N-[2-[(5-methyl-2-phenylmethoxyphenyl)carbamoylamino]ethyl]acetamide
CID 122150574

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyphenyl]acetamide?
The IUPAC name of N-[5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyphenyl]acetamide (CID 70412672) is N-[5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyphenyl]acetamide?
The canonical SMILES for N-[5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyphenyl]acetamide is CCCCC(NCCc1ccccc1)c1ccc(OCc2ccccc2)c(NC(C)=O)c1.
What is the InChIKey of N-[5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyphenyl]acetamide?
The InChIKey is CBLIAXTUBQRWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2/c1-3-4-15-26(29-19-18-23-11-7-5-8-12-23)25-16-17-28(27(20-25)30-22(2)31)32-21-24-13-9-6-10-14-24/h5-14,16-17,20,26,29H,3-4,15,18-19,21H2,1-2H3,(H,30,31).
What are the key properties of N-[5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyphenyl]acetamide?
N-[5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyphenyl]acetamide has a molecular weight of 430.59 g/mol, XLogP of 6.29, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyphenyl]acetamide is sourced from PubChem (CID 70412672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).