[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate

C24H25N3O5 — CID 175265795

IUPAC[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)(C)COC(=O)c3ncccn3)cc2)cc1OC
InChIInChI=1S/C24H25N3O5/c1-24(2,15-32-23(29)21-25-12-5-13-26-21)17-7-9-18(10-8-17)27-22(28)16-6-11-19(30-3)20(14-16)31-4/h5-14H,15H2,1-4H3,(H,27,28)
InChIKeyWESRHFJQYRUOLB-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.88
Rot. Bonds8

About [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate

[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate (PubChem CID 175265795) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate.

Molecular Properties

Compound Name[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate
PubChem CID175265795
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)(C)COC(=O)c3ncccn3)cc2)cc1OC
InChIInChI=1S/C24H25N3O5/c1-24(2,15-32-23(29)21-25-12-5-13-26-21)17-7-9-18(10-8-17)27-22(28)16-6-11-19(30-3)20(14-16)31-4/h5-14H,15H2,1-4H3,(H,27,28)
InChIKeyWESRHFJQYRUOLB-UHFFFAOYSA-N
XLogP3.88
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dimethoxy-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]benzamide
CID 67546361
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1-propan-2-ylindole-3-carboxylate
CID 174590894
[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 4-fluoro-1H-indole-3-carboxylate
CID 174590993
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 91425689
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3,4-dimethoxybenzamide;thiophene-3-carboxylic acid
CID 69047947
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980100
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1H-indazole-3-carboxylate
CID 174590959
3,4-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1084470
3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983135
3,4-dimethoxy-N-[4-[2-methyl-1-(2-phenoxypropanoylamino)propan-2-yl]phenyl]benzamide
CID 67545094

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate?
The IUPAC name of [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate (CID 175265795) is [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate.
What is the SMILES notation for [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate?
The canonical SMILES for [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate is COc1ccc(C(=O)Nc2ccc(C(C)(C)COC(=O)c3ncccn3)cc2)cc1OC.
What is the InChIKey of [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate?
The InChIKey is WESRHFJQYRUOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-24(2,15-32-23(29)21-25-12-5-13-26-21)17-7-9-18(10-8-17)27-22(28)16-6-11-19(30-3)20(14-16)31-4/h5-14H,15H2,1-4H3,(H,27,28).
What are the key properties of [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate?
[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate has a molecular weight of 435.48 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate is sourced from PubChem (CID 175265795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).