N-[3-[4-[acetyl(naphthalen-1-yl)amino]imidazol-1-yl]cyclobutyl]-2-(3-hydroxyphenyl)acetamide

C27H26N4O3 — CID 90932596

IUPACN-[3-[4-[acetyl(naphthalen-1-yl)amino]imidazol-1-yl]cyclobutyl]-2-(3-hydroxyphenyl)acetamide
SMILESCC(=O)N(c1cn(C2CC(NC(=O)Cc3cccc(O)c3)C2)cn1)c1cccc2ccccc12
InChIInChI=1S/C27H26N4O3/c1-18(32)31(25-11-5-8-20-7-2-3-10-24(20)25)26-16-30(17-28-26)22-14-21(15-22)29-27(34)13-19-6-4-9-23(33)12-19/h2-12,16-17,21-22,33H,13-15H2,1H3,(H,29,34)
InChIKeyOVNJHHSSDGALSJ-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.49
Rot. Bonds6

About N-[3-[4-[acetyl(naphthalen-1-yl)amino]imidazol-1-yl]cyclobutyl]-2-(3-hydroxyphenyl)acetamide

N-[3-[4-[acetyl(naphthalen-1-yl)amino]imidazol-1-yl]cyclobutyl]-2-(3-hydroxyphenyl)acetamide (PubChem CID 90932596) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[3-[4-[acetyl(naphthalen-1-yl)amino]imidazol-1-yl]cyclobutyl]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-[4-[acetyl(naphthalen-1-yl)amino]imidazol-1-yl]cyclobutyl]-2-(3-hydroxyphenyl)acetamide
PubChem CID90932596
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC NameN-[3-[4-[acetyl(naphthalen-1-yl)amino]imidazol-1-yl]cyclobutyl]-2-(3-hydroxyphenyl)acetamide
SMILESCC(=O)N(c1cn(C2CC(NC(=O)Cc3cccc(O)c3)C2)cn1)c1cccc2ccccc12
InChIInChI=1S/C27H26N4O3/c1-18(32)31(25-11-5-8-20-7-2-3-10-24(20)25)26-16-30(17-28-26)22-14-21(15-22)29-27(34)13-19-6-4-9-23(33)12-19/h2-12,16-17,21-22,33H,13-15H2,1H3,(H,29,34)
InChIKeyOVNJHHSSDGALSJ-UHFFFAOYSA-N
XLogP4.49
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[acetyl(naphthalen-1-yl)amino]imidazol-1-yl]cyclobutyl]-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[3-[4-[acetyl(naphthalen-1-yl)amino]imidazol-1-yl]cyclobutyl]-2-(3-hydroxyphenyl)acetamide (CID 90932596) is N-[3-[4-[acetyl(naphthalen-1-yl)amino]imidazol-1-yl]cyclobutyl]-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[3-[4-[acetyl(naphthalen-1-yl)amino]imidazol-1-yl]cyclobutyl]-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[3-[4-[acetyl(naphthalen-1-yl)amino]imidazol-1-yl]cyclobutyl]-2-(3-hydroxyphenyl)acetamide is CC(=O)N(c1cn(C2CC(NC(=O)Cc3cccc(O)c3)C2)cn1)c1cccc2ccccc12.
What is the InChIKey of N-[3-[4-[acetyl(naphthalen-1-yl)amino]imidazol-1-yl]cyclobutyl]-2-(3-hydroxyphenyl)acetamide?
The InChIKey is OVNJHHSSDGALSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-18(32)31(25-11-5-8-20-7-2-3-10-24(20)25)26-16-30(17-28-26)22-14-21(15-22)29-27(34)13-19-6-4-9-23(33)12-19/h2-12,16-17,21-22,33H,13-15H2,1H3,(H,29,34).
What are the key properties of N-[3-[4-[acetyl(naphthalen-1-yl)amino]imidazol-1-yl]cyclobutyl]-2-(3-hydroxyphenyl)acetamide?
N-[3-[4-[acetyl(naphthalen-1-yl)amino]imidazol-1-yl]cyclobutyl]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 454.53 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[acetyl(naphthalen-1-yl)amino]imidazol-1-yl]cyclobutyl]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 90932596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).