N-(cyclopentylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide

C20H27N5O4 — CID 135809308

About N-(cyclopentylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide

N-(cyclopentylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (PubChem CID 135809308) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(cyclopentylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
• PubChem CID: 135809308
• Molecular Formula: C20H27N5O4
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.21
• IUPAC Name: N-(cyclopentylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
• SMILES: COCCN(CC(=O)NC(=O)NC1CCCC1)Cc1nc2ccccc2c(=O)[nH]1
• InChI: InChI=1S/C20H27N5O4/c1-29-11-10-25(13-18(26)24-20(28)21-14-6-2-3-7-14)12-17-22-16-9-5-4-8-15(16)19(27)23-17/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,22,23,27)(H2,21,24,26,28)
• InChIKey: SABXXGHEMVDUAZ-UHFFFAOYSA-N
• XLogP: 1.14
• TPSA: 116.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?

The IUPAC name of N-(cyclopentylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (CID 135809308) is N-(cyclopentylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.

What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?

The canonical SMILES for N-(cyclopentylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is COCCN(CC(=O)NC(=O)NC1CCCC1)Cc1nc2ccccc2c(=O)[nH]1.

What is the InChIKey of N-(cyclopentylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?

The InChIKey is SABXXGHEMVDUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4/c1-29-11-10-25(13-18(26)24-20(28)21-14-6-2-3-7-14)12-17-22-16-9-5-4-8-15(16)19(27)23-17/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,22,23,27)(H2,21,24,26,28).

What are the key properties of N-(cyclopentylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?

N-(cyclopentylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide has a molecular weight of 401.47 g/mol, XLogP of 1.14, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopentylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 135809308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).