N-butyl-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide

C26H33N3O3 — CID 42722498

IUPACN-butyl-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
SMILESCCCCN(C(=O)CCC)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1OCC
InChIInChI=1S/C26H33N3O3/c1-5-8-18-28(24(30)13-6-2)19(4)25-27-21-15-10-9-14-20(21)26(31)29(25)22-16-11-12-17-23(22)32-7-3/h9-12,14-17,19H,5-8,13,18H2,1-4H3
InChIKeyIIVGFHPYZTUGMW-UHFFFAOYSA-N
MW435.57 g/mol
LogP5.27
Rot. Bonds10

About N-butyl-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide

N-butyl-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide (PubChem CID 42722498) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-butyl-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-butyl-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
PubChem CID42722498
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN-butyl-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
SMILESCCCCN(C(=O)CCC)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1OCC
InChIInChI=1S/C26H33N3O3/c1-5-8-18-28(24(30)13-6-2)19(4)25-27-21-15-10-9-14-20(21)26(31)29(25)22-16-11-12-17-23(22)32-7-3/h9-12,14-17,19H,5-8,13,18H2,1-4H3
InChIKeyIIVGFHPYZTUGMW-UHFFFAOYSA-N
XLogP5.27
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
CID 42722529
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentyl-2,2-diphenylacetamide
CID 42722539
N-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide
CID 42657642
ethyl 4-[butyl-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-4-oxobutanoate
CID 4316094
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
CID 42721421
4-bromo-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 46116452
N-butyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
CID 42720622
N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide
CID 42720914
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentyl-1,3-benzodioxole-5-carboxamide
CID 42722542
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide
CID 11633288
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2,2-diphenylacetamide
CID 42722470
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
CID 42720427

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide?
The IUPAC name of N-butyl-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide (CID 42722498) is N-butyl-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide.
What is the SMILES notation for N-butyl-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide?
The canonical SMILES for N-butyl-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide is CCCCN(C(=O)CCC)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1OCC.
What is the InChIKey of N-butyl-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide?
The InChIKey is IIVGFHPYZTUGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-5-8-18-28(24(30)13-6-2)19(4)25-27-21-15-10-9-14-20(21)26(31)29(25)22-16-11-12-17-23(22)32-7-3/h9-12,14-17,19H,5-8,13,18H2,1-4H3.
What are the key properties of N-butyl-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide?
N-butyl-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide has a molecular weight of 435.57 g/mol, XLogP of 5.27, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide is sourced from PubChem (CID 42722498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).