methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]-methylamino]benzoate

C20H25NO4 — CID 67395454

IUPACmethyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]-methylamino]benzoate
SMILESCOC(=O)c1ccc(N(C)C(=O)c2cc(C(C)C)c(C(C)C)o2)cc1
InChIInChI=1S/C20H25NO4/c1-12(2)16-11-17(25-18(16)13(3)4)19(22)21(5)15-9-7-14(8-10-15)20(23)24-6/h7-13H,1-6H3
InChIKeyBRANUTNLZLLVJO-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.59
Rot. Bonds5

About methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]-methylamino]benzoate

methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]-methylamino]benzoate (PubChem CID 67395454) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]-methylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]-methylamino]benzoate
PubChem CID67395454
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Namemethyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]-methylamino]benzoate
SMILESCOC(=O)c1ccc(N(C)C(=O)c2cc(C(C)C)c(C(C)C)o2)cc1
InChIInChI=1S/C20H25NO4/c1-12(2)16-11-17(25-18(16)13(3)4)19(22)21(5)15-9-7-14(8-10-15)20(23)24-6/h7-13H,1-6H3
InChIKeyBRANUTNLZLLVJO-UHFFFAOYSA-N
XLogP4.59
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]-methylamino]benzoate with MolForge

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Related Compounds

methyl 4-(4-methoxycarbonyl-N-methylanilino)benzoate
CID 11335546
methyl 4-[methyl-[4-[methyl-[4-[methyl-(4-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]benzoate
CID 132533381
methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate
CID 143837659
methyl 4-[methyl(2-methylprop-2-enoyl)amino]benzoate
CID 25138779
methyl 4-(5-propan-2-ylfuran-2-yl)benzoate
CID 155632242
methyl 5-[(3,4-difluorophenyl)-methylcarbamoyl]furan-2-carboxylate
CID 75385054
methyl 4-(N-(4-methoxycarbonylphenyl)-4-methylanilino)benzoate
CID 102198007
methyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 17227914
methyl 4-iodo-3-propan-2-ylbenzoate
CID 134691911
[acetyloxy(phenyl)-λ3-iodanyl] acetate;4,5-di(propan-2-yl)furan-2-carbaldehyde;methane;methyl 4,5-di(propan-2-yl)furan-2-carboxylate
CID 161054330
methyl 4-[[2-[N-methyl-3,4-di(propan-2-yl)anilino]phenyl]carbamoyl]benzoate
CID 10789459
methyl 4-[methyl(nitroso)amino]benzoate
CID 72697074

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]-methylamino]benzoate?
The IUPAC name of methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]-methylamino]benzoate (CID 67395454) is methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]-methylamino]benzoate.
What is the SMILES notation for methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]-methylamino]benzoate?
The canonical SMILES for methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]-methylamino]benzoate is COC(=O)c1ccc(N(C)C(=O)c2cc(C(C)C)c(C(C)C)o2)cc1.
What is the InChIKey of methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]-methylamino]benzoate?
The InChIKey is BRANUTNLZLLVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-12(2)16-11-17(25-18(16)13(3)4)19(22)21(5)15-9-7-14(8-10-15)20(23)24-6/h7-13H,1-6H3.
What are the key properties of methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]-methylamino]benzoate?
methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]-methylamino]benzoate has a molecular weight of 343.42 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]-methylamino]benzoate is sourced from PubChem (CID 67395454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).