N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide

C33H44N4O3 — CID 142367264

About N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide

N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide (PubChem CID 142367264) has the molecular formula C33H44N4O3 and a molecular weight of 544.74 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
• PubChem CID: 142367264
• Molecular Formula: C33H44N4O3
• Molecular Weight: 544.74 g/mol
• Exact Mass: 544.34
• IUPAC Name: N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
• SMILES: CC(=O)NCc1c(C)cc(C)[nH]c1=O.Cc1ccc(-c2ccc(CN3CCOCC3)cc2)cc1NC1CCCC1
• InChI: InChI=1S/C23H30N2O.C10H14N2O2/c1-18-6-9-21(16-23(18)24-22-4-2-3-5-22)20-10-7-19(8-11-20)17-25-12-14-26-15-13-25;1-6-4-7(2)12-10(14)9(6)5-11-8(3)13/h6-11,16,22,24H,2-5,12-15,17H2,1H3;4H,5H2,1-3H3,(H,11,13)(H,12,14)
• InChIKey: UCLIGKFBPRFLSF-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 86.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.74
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide?

The IUPAC name of N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide (CID 142367264) is N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide.

What is the SMILES notation for N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide?

The canonical SMILES for N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide is CC(=O)NCc1c(C)cc(C)[nH]c1=O.Cc1ccc(-c2ccc(CN3CCOCC3)cc2)cc1NC1CCCC1.

What is the InChIKey of N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide?

The InChIKey is UCLIGKFBPRFLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O.C10H14N2O2/c1-18-6-9-21(16-23(18)24-22-4-2-3-5-22)20-10-7-19(8-11-20)17-25-12-14-26-15-13-25;1-6-4-7(2)12-10(14)9(6)5-11-8(3)13/h6-11,16,22,24H,2-5,12-15,17H2,1H3;4H,5H2,1-3H3,(H,11,13)(H,12,14).

What are the key properties of N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide?

N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide has a molecular weight of 544.74 g/mol, XLogP of 5.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide is sourced from PubChem (CID 142367264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).