N-[4-[[4-[2-(dibutylamino)ethylcarbamoylamino]phenyl]methyl]phenyl]acetamide

C26H38N4O2 — CID 71078956

IUPACN-[4-[[4-[2-(dibutylamino)ethylcarbamoylamino]phenyl]methyl]phenyl]acetamide
SMILESCCCCN(CCCC)CCNC(=O)Nc1ccc(Cc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C26H38N4O2/c1-4-6-17-30(18-7-5-2)19-16-27-26(32)29-25-14-10-23(11-15-25)20-22-8-12-24(13-9-22)28-21(3)31/h8-15H,4-7,16-20H2,1-3H3,(H,28,31)(H2,27,29,32)
InChIKeyFJQDVFCRXFGOOA-UHFFFAOYSA-N
MW438.62 g/mol
LogP5.26
Rot. Bonds13

About N-[4-[[4-[2-(dibutylamino)ethylcarbamoylamino]phenyl]methyl]phenyl]acetamide

N-[4-[[4-[2-(dibutylamino)ethylcarbamoylamino]phenyl]methyl]phenyl]acetamide (PubChem CID 71078956) has the molecular formula C26H38N4O2 and a molecular weight of 438.62 g/mol. Its IUPAC name is N-[4-[[4-[2-(dibutylamino)ethylcarbamoylamino]phenyl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[2-(dibutylamino)ethylcarbamoylamino]phenyl]methyl]phenyl]acetamide
PubChem CID71078956
Molecular FormulaC26H38N4O2
Molecular Weight438.62 g/mol
Exact Mass438.30
IUPAC NameN-[4-[[4-[2-(dibutylamino)ethylcarbamoylamino]phenyl]methyl]phenyl]acetamide
SMILESCCCCN(CCCC)CCNC(=O)Nc1ccc(Cc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C26H38N4O2/c1-4-6-17-30(18-7-5-2)19-16-27-26(32)29-25-14-10-23(11-15-25)20-22-8-12-24(13-9-22)28-21(3)31/h8-15H,4-7,16-20H2,1-3H3,(H,28,31)(H2,27,29,32)
InChIKeyFJQDVFCRXFGOOA-UHFFFAOYSA-N
XLogP5.26
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[heptyl(octyl)amino]propyl]-3-[4-[[4-[3-[heptyl(octyl)amino]propylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 139954770
1-[[butyl(octyl)amino]methyl]-3-[4-[[4-[[butyl(octyl)amino]methylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 139955043
1-[2-[methyl(undecyl)amino]ethyl]-3-[4-[[4-[2-[methyl(undecyl)amino]ethylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 139954855
1-[2-[methyl(octyl)amino]ethyl]-3-[4-[[4-[2-[methyl(octyl)amino]ethylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 139954194
1-[4-[hexyl(methyl)amino]butyl]-3-[4-[[4-[4-[hexyl(methyl)amino]butylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 139955906
1-[2-[hexyl(octyl)amino]ethyl]-3-[3-[[3-[2-[hexyl(octyl)amino]ethylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 139954807
1-[2-(dioctylamino)ethyl]-3-[3-[[3-[2-(dioctylamino)ethylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 139955455
[4-[[4-(pentylcarbamoylamino)phenyl]methyl]phenyl]carbamic acid
CID 69144351
1-octadecyl-3-[4-[[4-(octadecylamino)phenyl]methyl]phenyl]urea
CID 176858089
1-[4-(dimethylamino)butyl]-3-[4-[[4-[4-(dimethylamino)butylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 139956196
1-[3-[butyl(pentyl)amino]propyl]-3-[3-[[3-[3-[butyl(pentyl)amino]propylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 139954193
3-[butyl(heptyl)amino]-N-[4-[[4-[3-[butyl(heptyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139955530

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[2-(dibutylamino)ethylcarbamoylamino]phenyl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[2-(dibutylamino)ethylcarbamoylamino]phenyl]methyl]phenyl]acetamide (CID 71078956) is N-[4-[[4-[2-(dibutylamino)ethylcarbamoylamino]phenyl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[2-(dibutylamino)ethylcarbamoylamino]phenyl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[2-(dibutylamino)ethylcarbamoylamino]phenyl]methyl]phenyl]acetamide is CCCCN(CCCC)CCNC(=O)Nc1ccc(Cc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[[4-[2-(dibutylamino)ethylcarbamoylamino]phenyl]methyl]phenyl]acetamide?
The InChIKey is FJQDVFCRXFGOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O2/c1-4-6-17-30(18-7-5-2)19-16-27-26(32)29-25-14-10-23(11-15-25)20-22-8-12-24(13-9-22)28-21(3)31/h8-15H,4-7,16-20H2,1-3H3,(H,28,31)(H2,27,29,32).
What are the key properties of N-[4-[[4-[2-(dibutylamino)ethylcarbamoylamino]phenyl]methyl]phenyl]acetamide?
N-[4-[[4-[2-(dibutylamino)ethylcarbamoylamino]phenyl]methyl]phenyl]acetamide has a molecular weight of 438.62 g/mol, XLogP of 5.26, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[2-(dibutylamino)ethylcarbamoylamino]phenyl]methyl]phenyl]acetamide is sourced from PubChem (CID 71078956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).