N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide

C26H32N4O3 — CID 46554701

IUPACN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2CN(C)C2CCCCC2)c1=O
InChIInChI=1S/C26H32N4O3/c1-3-29-25(32)21-14-8-10-16-23(21)30(26(29)33)18-24(31)27-22-15-9-7-11-19(22)17-28(2)20-12-5-4-6-13-20/h7-11,14-16,20H,3-6,12-13,17-18H2,1-2H3,(H,27,31)
InChIKeyNILLTTBGTBVVHV-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.59
Rot. Bonds7

About N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide (PubChem CID 46554701) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
PubChem CID46554701
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2CN(C)C2CCCCC2)c1=O
InChIInChI=1S/C26H32N4O3/c1-3-29-25(32)21-14-8-10-16-23(21)30(26(29)33)18-24(31)27-22-15-9-7-11-19(22)17-28(2)20-12-5-4-6-13-20/h7-11,14-16,20H,3-6,12-13,17-18H2,1-2H3,(H,27,31)
InChIKeyNILLTTBGTBVVHV-UHFFFAOYSA-N
XLogP3.59
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 35278255
N-[5-chloro-2-(dimethylamino)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 55432797
1-[[2-[[cyclohexyl(methyl)amino]methyl]anilino]methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 46571879
N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 55899981
5-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide
CID 50762797
N-cyclohexyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide
CID 16577165
2-(3-cyclopentyl-2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)acetamide
CID 6619229
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 6502232
2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 3432119
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide
CID 18158678
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methoxyphenyl)acetamide
CID 51307622

Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide (CID 46554701) is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide.
What is the SMILES notation for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The canonical SMILES for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide is CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2CN(C)C2CCCCC2)c1=O.
What is the InChIKey of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The InChIKey is NILLTTBGTBVVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-3-29-25(32)21-14-8-10-16-23(21)30(26(29)33)18-24(31)27-22-15-9-7-11-19(22)17-28(2)20-12-5-4-6-13-20/h7-11,14-16,20H,3-6,12-13,17-18H2,1-2H3,(H,27,31).
What are the key properties of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide has a molecular weight of 448.57 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide is sourced from PubChem (CID 46554701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).