N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide

C26H32N4O4 — CID 22644636

IUPACN-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1)C(N)=O
InChIInChI=1S/C26H32N4O4/c1-17(2)15-22(24(27)31)28-25(32)18-7-9-20(10-8-18)29-13-11-21(12-14-29)30-23-6-4-3-5-19(23)16-34-26(30)33/h3-10,17,21-22H,11-16H2,1-2H3,(H2,27,31)(H,28,32)
InChIKeyNLRHANWZWQZMQW-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.44
Rot. Bonds7

About N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide

N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide (PubChem CID 22644636) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide
PubChem CID22644636
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1)C(N)=O
InChIInChI=1S/C26H32N4O4/c1-17(2)15-22(24(27)31)28-25(32)18-7-9-20(10-8-18)29-13-11-21(12-14-29)30-23-6-4-3-5-19(23)16-34-26(30)33/h3-10,17,21-22H,11-16H2,1-2H3,(H2,27,31)(H,28,32)
InChIKeyNLRHANWZWQZMQW-UHFFFAOYSA-N
XLogP3.44
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide?
The IUPAC name of N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide (CID 22644636) is N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide.
What is the SMILES notation for N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide?
The canonical SMILES for N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide is CC(C)CC(NC(=O)c1ccc(N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1)C(N)=O.
What is the InChIKey of N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide?
The InChIKey is NLRHANWZWQZMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-17(2)15-22(24(27)31)28-25(32)18-7-9-20(10-8-18)29-13-11-21(12-14-29)30-23-6-4-3-5-19(23)16-34-26(30)33/h3-10,17,21-22H,11-16H2,1-2H3,(H2,27,31)(H,28,32).
What are the key properties of N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide?
N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide has a molecular weight of 464.57 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide is sourced from PubChem (CID 22644636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).