N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C22H25N3O3 — CID 137288392

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)CCc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C22H25N3O3/c1-15-12-16(2)14-17(13-15)28-11-10-25(3)21(26)9-8-20-23-19-7-5-4-6-18(19)22(27)24-20/h4-7,12-14H,8-11H2,1-3H3,(H,23,24,27)
InChIKeyHOEOHEIGGFBSAI-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.01
Rot. Bonds7

About N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 137288392) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID137288392
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)CCc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C22H25N3O3/c1-15-12-16(2)14-17(13-15)28-11-10-25(3)21(26)9-8-20-23-19-7-5-4-6-18(19)22(27)24-20/h4-7,12-14H,8-11H2,1-3H3,(H,23,24,27)
InChIKeyHOEOHEIGGFBSAI-UHFFFAOYSA-N
XLogP3.01
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenoxyethyl)butanamide
CID 135976954
4-(4-chloro-3-methylphenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide
CID 135877048
N-ethyl-3-(3-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135821067
methyl 2-methyl-5-[[methyl-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]amino]methyl]furan-3-carboxylate
CID 166181806
4-(2,5-dimethylphenyl)-N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide
CID 135877052
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18157368
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711264
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137303645
3-(1H-benzimidazol-2-yl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide
CID 55898321
N-methyl-2-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135875449
[2-(N-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135478532
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135972244

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 137288392) is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide is Cc1cc(C)cc(OCCN(C)C(=O)CCc2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is HOEOHEIGGFBSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15-12-16(2)14-17(13-15)28-11-10-25(3)21(26)9-8-20-23-19-7-5-4-6-18(19)22(27)24-20/h4-7,12-14H,8-11H2,1-3H3,(H,23,24,27).
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 379.46 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 137288392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).