N-[3-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]methyl]phenyl]butanamide

C23H26N4O4 — CID 55782744

IUPACN-[3-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(CNC(=O)Cn2c(=O)n(CC)c(=O)c3ccccc32)c1
InChIInChI=1S/C23H26N4O4/c1-3-8-20(28)25-17-10-7-9-16(13-17)14-24-21(29)15-27-19-12-6-5-11-18(19)22(30)26(4-2)23(27)31/h5-7,9-13H,3-4,8,14-15H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyXAVLZBUDAILBPN-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.24
Rot. Bonds8

About N-[3-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]methyl]phenyl]butanamide

N-[3-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]methyl]phenyl]butanamide (PubChem CID 55782744) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[3-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]methyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]methyl]phenyl]butanamide
PubChem CID55782744
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN-[3-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(CNC(=O)Cn2c(=O)n(CC)c(=O)c3ccccc32)c1
InChIInChI=1S/C23H26N4O4/c1-3-8-20(28)25-17-10-7-9-16(13-17)14-24-21(29)15-27-19-12-6-5-11-18(19)22(30)26(4-2)23(27)31/h5-7,9-13H,3-4,8,14-15H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyXAVLZBUDAILBPN-UHFFFAOYSA-N
XLogP2.24
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-bromophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465653
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 38842169
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 110882347
N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857
N-(3-ethylphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 15992650
N-[3-[[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 29304202
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6502231
5-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50762916
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide
CID 55900388
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide
CID 9400092
N-(3-acetylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide
CID 6502365
N-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide
CID 22430065

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]methyl]phenyl]butanamide?
The IUPAC name of N-[3-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]methyl]phenyl]butanamide (CID 55782744) is N-[3-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]methyl]phenyl]butanamide.
What is the SMILES notation for N-[3-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]methyl]phenyl]butanamide?
The canonical SMILES for N-[3-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]methyl]phenyl]butanamide is CCCC(=O)Nc1cccc(CNC(=O)Cn2c(=O)n(CC)c(=O)c3ccccc32)c1.
What is the InChIKey of N-[3-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]methyl]phenyl]butanamide?
The InChIKey is XAVLZBUDAILBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-3-8-20(28)25-17-10-7-9-16(13-17)14-24-21(29)15-27-19-12-6-5-11-18(19)22(30)26(4-2)23(27)31/h5-7,9-13H,3-4,8,14-15H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of N-[3-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]methyl]phenyl]butanamide?
N-[3-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]methyl]phenyl]butanamide has a molecular weight of 422.49 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]methyl]phenyl]butanamide is sourced from PubChem (CID 55782744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).