[(Z)-3-phenylprop-2-enyl] 3-(furan-2-carbonylamino)-4-methylbenzoate

C22H19NO4 — CID 97423646

IUPAC[(Z)-3-phenylprop-2-enyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCc1ccc(C(=O)OC/C=C\c2ccccc2)cc1NC(=O)c1ccco1
InChIInChI=1S/C22H19NO4/c1-16-11-12-18(15-19(16)23-21(24)20-10-6-13-26-20)22(25)27-14-5-9-17-7-3-2-4-8-17/h2-13,15H,14H2,1H3,(H,23,24)/b9-5-
InChIKeyZHZYRCRNSOENJN-UITAMQMPSA-N
MW361.40 g/mol
LogP4.71
Rot. Bonds6

About [(Z)-3-phenylprop-2-enyl] 3-(furan-2-carbonylamino)-4-methylbenzoate

[(Z)-3-phenylprop-2-enyl] 3-(furan-2-carbonylamino)-4-methylbenzoate (PubChem CID 97423646) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is [(Z)-3-phenylprop-2-enyl] 3-(furan-2-carbonylamino)-4-methylbenzoate.

Molecular Properties

Compound Name[(Z)-3-phenylprop-2-enyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
PubChem CID97423646
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name[(Z)-3-phenylprop-2-enyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCc1ccc(C(=O)OC/C=C\c2ccccc2)cc1NC(=O)c1ccco1
InChIInChI=1S/C22H19NO4/c1-16-11-12-18(15-19(16)23-21(24)20-10-6-13-26-20)22(25)27-14-5-9-17-7-3-2-4-8-17/h2-13,15H,14H2,1H3,(H,23,24)/b9-5-
InChIKeyZHZYRCRNSOENJN-UITAMQMPSA-N
XLogP4.71
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605474
[2-(4-methylphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 23937853
[2-(3,5-dimethylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4858769
(3-methoxycarbonylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 9319547
[2-(4-ethylphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7448546
(4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7846624
[2-(4-bromophenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4801787
[2-(4-chlorophenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4802237
[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
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2357454
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 9319558

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-phenylprop-2-enyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The IUPAC name of [(Z)-3-phenylprop-2-enyl] 3-(furan-2-carbonylamino)-4-methylbenzoate (CID 97423646) is [(Z)-3-phenylprop-2-enyl] 3-(furan-2-carbonylamino)-4-methylbenzoate.
What is the SMILES notation for [(Z)-3-phenylprop-2-enyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The canonical SMILES for [(Z)-3-phenylprop-2-enyl] 3-(furan-2-carbonylamino)-4-methylbenzoate is Cc1ccc(C(=O)OC/C=C\c2ccccc2)cc1NC(=O)c1ccco1.
What is the InChIKey of [(Z)-3-phenylprop-2-enyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The InChIKey is ZHZYRCRNSOENJN-UITAMQMPSA-N. The full InChI is InChI=1S/C22H19NO4/c1-16-11-12-18(15-19(16)23-21(24)20-10-6-13-26-20)22(25)27-14-5-9-17-7-3-2-4-8-17/h2-13,15H,14H2,1H3,(H,23,24)/b9-5-.
What are the key properties of [(Z)-3-phenylprop-2-enyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
[(Z)-3-phenylprop-2-enyl] 3-(furan-2-carbonylamino)-4-methylbenzoate has a molecular weight of 361.40 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-phenylprop-2-enyl] 3-(furan-2-carbonylamino)-4-methylbenzoate is sourced from PubChem (CID 97423646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).