N-benzhydryl-4-(2,4-dioxopyrimidin-1-yl)butanamide

C21H21N3O3 — CID 57385739

IUPACN-benzhydryl-4-(2,4-dioxopyrimidin-1-yl)butanamide
SMILESO=C(CCCn1ccc(=O)[nH]c1=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N3O3/c25-18(12-7-14-24-15-13-19(26)23-21(24)27)22-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,13,15,20H,7,12,14H2,(H,22,25)(H,23,26,27)
InChIKeyOZGDJGXFEZAUFE-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.22
Rot. Bonds7

About N-benzhydryl-4-(2,4-dioxopyrimidin-1-yl)butanamide

N-benzhydryl-4-(2,4-dioxopyrimidin-1-yl)butanamide (PubChem CID 57385739) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-benzhydryl-4-(2,4-dioxopyrimidin-1-yl)butanamide.

Molecular Properties

Compound NameN-benzhydryl-4-(2,4-dioxopyrimidin-1-yl)butanamide
PubChem CID57385739
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-benzhydryl-4-(2,4-dioxopyrimidin-1-yl)butanamide
SMILESO=C(CCCn1ccc(=O)[nH]c1=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N3O3/c25-18(12-7-14-24-15-13-19(26)23-21(24)27)22-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,13,15,20H,7,12,14H2,(H,22,25)(H,23,26,27)
InChIKeyOZGDJGXFEZAUFE-UHFFFAOYSA-N
XLogP2.22
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-(2,4-dioxopyrimidin-1-yl)butanamide?
The IUPAC name of N-benzhydryl-4-(2,4-dioxopyrimidin-1-yl)butanamide (CID 57385739) is N-benzhydryl-4-(2,4-dioxopyrimidin-1-yl)butanamide.
What is the SMILES notation for N-benzhydryl-4-(2,4-dioxopyrimidin-1-yl)butanamide?
The canonical SMILES for N-benzhydryl-4-(2,4-dioxopyrimidin-1-yl)butanamide is O=C(CCCn1ccc(=O)[nH]c1=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-4-(2,4-dioxopyrimidin-1-yl)butanamide?
The InChIKey is OZGDJGXFEZAUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-18(12-7-14-24-15-13-19(26)23-21(24)27)22-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,13,15,20H,7,12,14H2,(H,22,25)(H,23,26,27).
What are the key properties of N-benzhydryl-4-(2,4-dioxopyrimidin-1-yl)butanamide?
N-benzhydryl-4-(2,4-dioxopyrimidin-1-yl)butanamide has a molecular weight of 363.42 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-(2,4-dioxopyrimidin-1-yl)butanamide is sourced from PubChem (CID 57385739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).