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

C21H23N3O4 — CID 135429121

IUPAC2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCOCC(=O)N(CCc1ccc(OC)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C21H23N3O4/c1-27-14-20(25)24(12-11-15-7-9-16(28-2)10-8-15)13-19-22-18-6-4-3-5-17(18)21(26)23-19/h3-10H,11-14H2,1-2H3,(H,22,23,26)
InChIKeyDDKNCOYSVAEGJR-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.15
Rot. Bonds8

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

2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (PubChem CID 135429121) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
PubChem CID135429121
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCOCC(=O)N(CCc1ccc(OC)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C21H23N3O4/c1-27-14-20(25)24(12-11-15-7-9-16(28-2)10-8-15)13-19-22-18-6-4-3-5-17(18)21(26)23-19/h3-10H,11-14H2,1-2H3,(H,22,23,26)
InChIKeyDDKNCOYSVAEGJR-UHFFFAOYSA-N
XLogP2.15
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (CID 135429121) is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is COCC(=O)N(CCc1ccc(OC)cc1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The InChIKey is DDKNCOYSVAEGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-27-14-20(25)24(12-11-15-7-9-16(28-2)10-8-15)13-19-22-18-6-4-3-5-17(18)21(26)23-19/h3-10H,11-14H2,1-2H3,(H,22,23,26).
What are the key properties of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide has a molecular weight of 381.43 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 135429121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).