4-[1-[2-(butan-2-ylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide

C26H32N4O4 — CID 15989592

IUPAC4-[1-[2-(butan-2-ylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide
SMILESCCC(C)NC(=O)Cn1c(=O)n(CCCC(=O)NCc2ccc(C)cc2)c(=O)c2ccccc21
InChIInChI=1S/C26H32N4O4/c1-4-19(3)28-24(32)17-30-22-9-6-5-8-21(22)25(33)29(26(30)34)15-7-10-23(31)27-16-20-13-11-18(2)12-14-20/h5-6,8-9,11-14,19H,4,7,10,15-17H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyXIMAYJBVRNDNKB-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.48
Rot. Bonds10

About 4-[1-[2-(butan-2-ylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide

4-[1-[2-(butan-2-ylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide (PubChem CID 15989592) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 4-[1-[2-(butan-2-ylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-[1-[2-(butan-2-ylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide
PubChem CID15989592
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name4-[1-[2-(butan-2-ylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide
SMILESCCC(C)NC(=O)Cn1c(=O)n(CCCC(=O)NCc2ccc(C)cc2)c(=O)c2ccccc21
InChIInChI=1S/C26H32N4O4/c1-4-19(3)28-24(32)17-30-22-9-6-5-8-21(22)25(33)29(26(30)34)15-7-10-23(31)27-16-20-13-11-18(2)12-14-20/h5-6,8-9,11-14,19H,4,7,10,15-17H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyXIMAYJBVRNDNKB-UHFFFAOYSA-N
XLogP2.48
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[1-[2-(butan-2-ylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(butan-2-ylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide?
The IUPAC name of 4-[1-[2-(butan-2-ylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide (CID 15989592) is 4-[1-[2-(butan-2-ylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for 4-[1-[2-(butan-2-ylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide?
The canonical SMILES for 4-[1-[2-(butan-2-ylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide is CCC(C)NC(=O)Cn1c(=O)n(CCCC(=O)NCc2ccc(C)cc2)c(=O)c2ccccc21.
What is the InChIKey of 4-[1-[2-(butan-2-ylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide?
The InChIKey is XIMAYJBVRNDNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-4-19(3)28-24(32)17-30-22-9-6-5-8-21(22)25(33)29(26(30)34)15-7-10-23(31)27-16-20-13-11-18(2)12-14-20/h5-6,8-9,11-14,19H,4,7,10,15-17H2,1-3H3,(H,27,31)(H,28,32).
What are the key properties of 4-[1-[2-(butan-2-ylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide?
4-[1-[2-(butan-2-ylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide has a molecular weight of 464.57 g/mol, XLogP of 2.48, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(butan-2-ylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 15989592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).