N-(4-tert-butylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide

C21H24N4O — CID 110437388

IUPACN-(4-tert-butylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(C(C)(C)C)cc1)c1ncnc2ccccc12
InChIInChI=1S/C21H24N4O/c1-21(2,3)15-9-11-16(12-10-15)24-19(26)13-25(4)20-17-7-5-6-8-18(17)22-14-23-20/h5-12,14H,13H2,1-4H3,(H,24,26)
InChIKeyVOJOPMIKCCMLDQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.00
Rot. Bonds4

About N-(4-tert-butylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide

N-(4-tert-butylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide (PubChem CID 110437388) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
PubChem CID110437388
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-(4-tert-butylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(C(C)(C)C)cc1)c1ncnc2ccccc12
InChIInChI=1S/C21H24N4O/c1-21(2,3)15-9-11-16(12-10-15)24-19(26)13-25(4)20-17-7-5-6-8-18(17)22-14-23-20/h5-12,14H,13H2,1-4H3,(H,24,26)
InChIKeyVOJOPMIKCCMLDQ-UHFFFAOYSA-N
XLogP4.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-tert-butylphenyl)-2-[methyl(quinazolin-4-yl)amino]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-(4-acetamidophenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437368
N-(4-ethylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437352
N-(3-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437347
N-(3-chloro-4-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437356
2-[methyl(quinazolin-4-yl)amino]-N-naphthalen-1-ylacetamide
CID 17455628
N-(4-tert-butylphenyl)-2-(quinazolin-4-ylamino)acetamide
CID 110437164
N-(4-tert-butylphenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetamide
CID 9192067
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831
N-(4-tert-butylphenyl)quinazolin-4-amine
CID 11323396
N-(4-tert-butylphenyl)-2-(diethylamino)acetamide
CID 59866099
N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 34756761
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-quinazolin-4-ylcarbamate
CID 174779366

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide (CID 110437388) is N-(4-tert-butylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide is CN(CC(=O)Nc1ccc(C(C)(C)C)cc1)c1ncnc2ccccc12.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide?
The InChIKey is VOJOPMIKCCMLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-21(2,3)15-9-11-16(12-10-15)24-19(26)13-25(4)20-17-7-5-6-8-18(17)22-14-23-20/h5-12,14H,13H2,1-4H3,(H,24,26).
What are the key properties of N-(4-tert-butylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide?
N-(4-tert-butylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide has a molecular weight of 348.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide is sourced from PubChem (CID 110437388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).