N-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methylacetamide

C23H29N3O4 — CID 95184616

IUPACN-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methylacetamide
SMILESCc1ccc(C)c([C@H]2NC(=O)N(CC(=O)N(C)C3CCCCC3)C3=C2C(=O)OC3)c1
InChIInChI=1S/C23H29N3O4/c1-14-9-10-15(2)17(11-14)21-20-18(13-30-22(20)28)26(23(29)24-21)12-19(27)25(3)16-7-5-4-6-8-16/h9-11,16,21H,4-8,12-13H2,1-3H3,(H,24,29)/t21-/m1/s1
InChIKeyHIPAJWWTPGRZLF-OAQYLSRUSA-N
MW411.50 g/mol
LogP2.97
Rot. Bonds4

About N-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methylacetamide

N-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methylacetamide (PubChem CID 95184616) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methylacetamide
PubChem CID95184616
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methylacetamide
SMILESCc1ccc(C)c([C@H]2NC(=O)N(CC(=O)N(C)C3CCCCC3)C3=C2C(=O)OC3)c1
InChIInChI=1S/C23H29N3O4/c1-14-9-10-15(2)17(11-14)21-20-18(13-30-22(20)28)26(23(29)24-21)12-19(27)25(3)16-7-5-4-6-8-16/h9-11,16,21H,4-8,12-13H2,1-3H3,(H,24,29)/t21-/m1/s1
InChIKeyHIPAJWWTPGRZLF-OAQYLSRUSA-N
XLogP2.97
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methylacetamide (CID 95184616) is N-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methylacetamide is Cc1ccc(C)c([C@H]2NC(=O)N(CC(=O)N(C)C3CCCCC3)C3=C2C(=O)OC3)c1.
What is the InChIKey of N-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methylacetamide?
The InChIKey is HIPAJWWTPGRZLF-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-14-9-10-15(2)17(11-14)21-20-18(13-30-22(20)28)26(23(29)24-21)12-19(27)25(3)16-7-5-4-6-8-16/h9-11,16,21H,4-8,12-13H2,1-3H3,(H,24,29)/t21-/m1/s1.
What are the key properties of N-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methylacetamide?
N-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methylacetamide has a molecular weight of 411.50 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 95184616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).