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

C22H27N3O4 — CID 95184598

IUPACN-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
SMILESCc1ccc(C)c([C@H]2NC(=O)N(CC(=O)NC3CCCCC3)C3=C2C(=O)OC3)c1
InChIInChI=1S/C22H27N3O4/c1-13-8-9-14(2)16(10-13)20-19-17(12-29-21(19)27)25(22(28)24-20)11-18(26)23-15-6-4-3-5-7-15/h8-10,15,20H,3-7,11-12H2,1-2H3,(H,23,26)(H,24,28)/t20-/m1/s1
InChIKeyOJJVRJJQQTZBTC-HXUWFJFHSA-N
MW397.48 g/mol
LogP2.63
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]acetamide

N-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide (PubChem CID 95184598) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 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]acetamide.

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]acetamide
PubChem CID95184598
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
SMILESCc1ccc(C)c([C@H]2NC(=O)N(CC(=O)NC3CCCCC3)C3=C2C(=O)OC3)c1
InChIInChI=1S/C22H27N3O4/c1-13-8-9-14(2)16(10-13)20-19-17(12-29-21(19)27)25(22(28)24-20)11-18(26)23-15-6-4-3-5-7-15/h8-10,15,20H,3-7,11-12H2,1-2H3,(H,23,26)(H,24,28)/t20-/m1/s1
InChIKeyOJJVRJJQQTZBTC-HXUWFJFHSA-N
XLogP2.63
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
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]acetamide?
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]acetamide (CID 95184598) is N-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide.
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]acetamide?
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]acetamide is Cc1ccc(C)c([C@H]2NC(=O)N(CC(=O)NC3CCCCC3)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]acetamide?
The InChIKey is OJJVRJJQQTZBTC-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-13-8-9-14(2)16(10-13)20-19-17(12-29-21(19)27)25(22(28)24-20)11-18(26)23-15-6-4-3-5-7-15/h8-10,15,20H,3-7,11-12H2,1-2H3,(H,23,26)(H,24,28)/t20-/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]acetamide?
N-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 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]acetamide is sourced from PubChem (CID 95184598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).