N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]cyclobutanecarboxamide

C34H39N3O4 — CID 3670599

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]cyclobutanecarboxamide
SMILESCCc1ccc(-n2c(C(CC)N(CCc3ccc(OC)c(OC)c3)C(=O)C3CCC3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C34H39N3O4/c1-5-23-14-17-26(18-15-23)37-32(35-28-13-8-7-12-27(28)34(37)39)29(6-2)36(33(38)25-10-9-11-25)21-20-24-16-19-30(40-3)31(22-24)41-4/h7-8,12-19,22,25,29H,5-6,9-11,20-21H2,1-4H3
InChIKeyCGCFXIQCFGYHRM-UHFFFAOYSA-N
MW553.70 g/mol
LogP6.29
Rot. Bonds11

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]cyclobutanecarboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]cyclobutanecarboxamide (PubChem CID 3670599) has the molecular formula C34H39N3O4 and a molecular weight of 553.70 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]cyclobutanecarboxamide
PubChem CID3670599
Molecular FormulaC34H39N3O4
Molecular Weight553.70 g/mol
Exact Mass553.29
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]cyclobutanecarboxamide
SMILESCCc1ccc(-n2c(C(CC)N(CCc3ccc(OC)c(OC)c3)C(=O)C3CCC3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C34H39N3O4/c1-5-23-14-17-26(18-15-23)37-32(35-28-13-8-7-12-27(28)34(37)39)29(6-2)36(33(38)25-10-9-11-25)21-20-24-16-19-30(40-3)31(22-24)41-4/h7-8,12-19,22,25,29H,5-6,9-11,20-21H2,1-4H3
InChIKeyCGCFXIQCFGYHRM-UHFFFAOYSA-N
XLogP6.29
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.70
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 4004381
N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]cyclobutanecarboxamide
CID 42722929
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)cyclohexanecarboxamide
CID 42722697
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)cyclobutanecarboxamide
CID 5026552
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-butylcyclobutanecarboxamide
CID 42719848
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)cyclopropanecarboxamide
CID 42719268
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclopentanecarboxamide
CID 42721825
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-(2-phenylethyl)propanamide
CID 3951854
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopentanecarboxamide
CID 42719818
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylcyclopentanecarboxamide
CID 3906979
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide
CID 42719339
N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylcyclohexanecarboxamide
CID 3361299

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]cyclobutanecarboxamide (CID 3670599) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]cyclobutanecarboxamide is CCc1ccc(-n2c(C(CC)N(CCc3ccc(OC)c(OC)c3)C(=O)C3CCC3)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]cyclobutanecarboxamide?
The InChIKey is CGCFXIQCFGYHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N3O4/c1-5-23-14-17-26(18-15-23)37-32(35-28-13-8-7-12-27(28)34(37)39)29(6-2)36(33(38)25-10-9-11-25)21-20-24-16-19-30(40-3)31(22-24)41-4/h7-8,12-19,22,25,29H,5-6,9-11,20-21H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]cyclobutanecarboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]cyclobutanecarboxamide has a molecular weight of 553.70 g/mol, XLogP of 6.29, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 3670599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).