N-[(2-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide

C25H27N5O3 — CID 166194272

IUPACN-[(2-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide
SMILESCCOc1ccccc1CN(CCCn1ccnc1)C(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C25H27N5O3/c1-2-33-24-11-6-3-8-20(24)17-29(14-7-13-28-15-12-26-19-28)25(32)18-30-22-10-5-4-9-21(22)23(31)16-27-30/h3-6,8-12,15-16,19H,2,7,13-14,17-18H2,1H3
InChIKeyVWEWQSCXVPSDPE-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.11
Rot. Bonds10

About N-[(2-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide

N-[(2-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 166194272) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID166194272
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN-[(2-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide
SMILESCCOc1ccccc1CN(CCCn1ccnc1)C(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C25H27N5O3/c1-2-33-24-11-6-3-8-20(24)17-29(14-7-13-28-15-12-26-19-28)25(32)18-30-22-10-5-4-9-21(22)23(31)16-27-30/h3-6,8-12,15-16,19H,2,7,13-14,17-18H2,1H3
InChIKeyVWEWQSCXVPSDPE-UHFFFAOYSA-N
XLogP3.11
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-methylphenyl)methyl]-2-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 55982590
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 60557343
N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 47118864
(2-ethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium
CID 7042091
3-(3,4-dichlorophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(2-methoxyphenyl)methyl]urea
CID 4204238
2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxoquinolin-1-yl]-N-(3-imidazol-1-ylpropyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 10129456
N-[(4-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-1-benzothiophene-3-carboxamide
CID 112805655
2-(4-oxocinnolin-1-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 55806564
N-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide
CID 134015451
oxalic acid;1-[4-(2-prop-2-enylphenoxy)butyl]imidazole
CID 2923042
N-(2-cyanoethyl)-3-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 86864871
3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42699795

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide (CID 166194272) is N-[(2-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide is CCOc1ccccc1CN(CCCn1ccnc1)C(=O)Cn1ncc(=O)c2ccccc21.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is VWEWQSCXVPSDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-2-33-24-11-6-3-8-20(24)17-29(14-7-13-28-15-12-26-19-28)25(32)18-30-22-10-5-4-9-21(22)23(31)16-27-30/h3-6,8-12,15-16,19H,2,7,13-14,17-18H2,1H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide?
N-[(2-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 445.52 g/mol, XLogP of 3.11, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 166194272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).