4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazinan-2-yl]amino]-N-(2-methylpropyl)benzamide

C24H30ClN5O3 — CID 76821253

IUPAC4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazinan-2-yl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(NC2NC(=O)N(C(C)C)C(=O)N2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H30ClN5O3/c1-15(2)13-26-21(31)18-7-11-20(12-8-18)27-22-28-23(32)30(16(3)4)24(33)29(22)14-17-5-9-19(25)10-6-17/h5-12,15-16,22,27H,13-14H2,1-4H3,(H,26,31)(H,28,32)
InChIKeyUFVHXKYUBVKQMX-UHFFFAOYSA-N
MW471.99 g/mol
LogP4.48
Rot. Bonds8

About 4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazinan-2-yl]amino]-N-(2-methylpropyl)benzamide

4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazinan-2-yl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 76821253) has the molecular formula C24H30ClN5O3 and a molecular weight of 471.99 g/mol. Its IUPAC name is 4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazinan-2-yl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazinan-2-yl]amino]-N-(2-methylpropyl)benzamide
PubChem CID76821253
Molecular FormulaC24H30ClN5O3
Molecular Weight471.99 g/mol
Exact Mass471.20
IUPAC Name4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazinan-2-yl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(NC2NC(=O)N(C(C)C)C(=O)N2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H30ClN5O3/c1-15(2)13-26-21(31)18-7-11-20(12-8-18)27-22-28-23(32)30(16(3)4)24(33)29(22)14-17-5-9-19(25)10-6-17/h5-12,15-16,22,27H,13-14H2,1-4H3,(H,26,31)(H,28,32)
InChIKeyUFVHXKYUBVKQMX-UHFFFAOYSA-N
XLogP4.48
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazinan-2-yl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazinan-2-yl]amino]-N-(2-methylpropyl)benzamide (CID 76821253) is 4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazinan-2-yl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazinan-2-yl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazinan-2-yl]amino]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccc(NC2NC(=O)N(C(C)C)C(=O)N2Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazinan-2-yl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is UFVHXKYUBVKQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O3/c1-15(2)13-26-21(31)18-7-11-20(12-8-18)27-22-28-23(32)30(16(3)4)24(33)29(22)14-17-5-9-19(25)10-6-17/h5-12,15-16,22,27H,13-14H2,1-4H3,(H,26,31)(H,28,32).
What are the key properties of 4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazinan-2-yl]amino]-N-(2-methylpropyl)benzamide?
4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazinan-2-yl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 471.99 g/mol, XLogP of 4.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazinan-2-yl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 76821253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).