(4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate

C24H25NO4 — CID 7846624

IUPAC(4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCc1ccc(C(=O)OCc2ccc(C(C)(C)C)cc2)cc1NC(=O)c1ccco1
InChIInChI=1S/C24H25NO4/c1-16-7-10-18(14-20(16)25-22(26)21-6-5-13-28-21)23(27)29-15-17-8-11-19(12-9-17)24(2,3)4/h5-14H,15H2,1-4H3,(H,25,26)
InChIKeyDUPMQYHLRBNOPD-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.49
Rot. Bonds5

About (4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate

(4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate (PubChem CID 7846624) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is (4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate.

Molecular Properties

Compound Name(4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
PubChem CID7846624
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name(4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCc1ccc(C(=O)OCc2ccc(C(C)(C)C)cc2)cc1NC(=O)c1ccco1
InChIInChI=1S/C24H25NO4/c1-16-7-10-18(14-20(16)25-22(26)21-6-5-13-28-21)23(27)29-15-17-8-11-19(12-9-17)24(2,3)4/h5-14H,15H2,1-4H3,(H,25,26)
InChIKeyDUPMQYHLRBNOPD-UHFFFAOYSA-N
XLogP5.49
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methoxycarbonylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 9319547
(2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605474
[2-(4-ethylphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7448546
[2-(4-methylphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 23937853
(2-chloro-4-fluorophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 16534278
(2-nitrophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 9318976
[2-(4-chlorophenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4802237
[2-(4-bromophenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4801787
[2-(diethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2559432
(2-oxo-2-propan-2-yloxyethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 24557608
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
[2-(3,5-dimethylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4858769

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
The IUPAC name of (4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate (CID 7846624) is (4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate.
What is the SMILES notation for (4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
The canonical SMILES for (4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate is Cc1ccc(C(=O)OCc2ccc(C(C)(C)C)cc2)cc1NC(=O)c1ccco1.
What is the InChIKey of (4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
The InChIKey is DUPMQYHLRBNOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-16-7-10-18(14-20(16)25-22(26)21-6-5-13-28-21)23(27)29-15-17-8-11-19(12-9-17)24(2,3)4/h5-14H,15H2,1-4H3,(H,25,26).
What are the key properties of (4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
(4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate has a molecular weight of 391.47 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate is sourced from PubChem (CID 7846624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).