2-ethyl-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide

C24H29N3O3 — CID 135429206

IUPAC2-ethyl-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide
SMILESCCC(CC)C(=O)N(CCc1ccc(OC)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C24H29N3O3/c1-4-18(5-2)24(29)27(15-14-17-10-12-19(30-3)13-11-17)16-22-25-21-9-7-6-8-20(21)23(28)26-22/h6-13,18H,4-5,14-16H2,1-3H3,(H,25,26,28)
InChIKeyFXDFILYMXFDXNE-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.94
Rot. Bonds9

About 2-ethyl-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide

2-ethyl-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide (PubChem CID 135429206) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-ethyl-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide
PubChem CID135429206
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name2-ethyl-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide
SMILESCCC(CC)C(=O)N(CCc1ccc(OC)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C24H29N3O3/c1-4-18(5-2)24(29)27(15-14-17-10-12-19(30-3)13-11-17)16-22-25-21-9-7-6-8-20(21)23(28)26-22/h6-13,18H,4-5,14-16H2,1-3H3,(H,25,26,28)
InChIKeyFXDFILYMXFDXNE-UHFFFAOYSA-N
XLogP3.94
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide (CID 135429206) is 2-ethyl-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide is CCC(CC)C(=O)N(CCc1ccc(OC)cc1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-ethyl-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide?
The InChIKey is FXDFILYMXFDXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-4-18(5-2)24(29)27(15-14-17-10-12-19(30-3)13-11-17)16-22-25-21-9-7-6-8-20(21)23(28)26-22/h6-13,18H,4-5,14-16H2,1-3H3,(H,25,26,28).
What are the key properties of 2-ethyl-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide?
2-ethyl-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide has a molecular weight of 407.51 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide is sourced from PubChem (CID 135429206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).