5-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]furan-2-carboxylic acid

C19H21NO5 — CID 169468485

IUPAC5-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]furan-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NCC=Cc1ccc(-c2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C19H21NO5/c1-19(2,3)25-18(23)20-12-4-5-13-6-8-14(9-7-13)15-10-11-16(24-15)17(21)22/h4-11H,12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyIFGBNCPNRPNCQC-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.18
Rot. Bonds5

About 5-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]furan-2-carboxylic acid

5-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]furan-2-carboxylic acid (PubChem CID 169468485) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]furan-2-carboxylic acid
PubChem CID169468485
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name5-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]furan-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NCC=Cc1ccc(-c2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C19H21NO5/c1-19(2,3)25-18(23)20-12-4-5-13-6-8-14(9-7-13)15-10-11-16(24-15)17(21)22/h4-11H,12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyIFGBNCPNRPNCQC-UHFFFAOYSA-N
XLogP4.18
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]phenyl]furan-2-carboxylic acid
CID 170491448
tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467097
(E)-3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]prop-2-enoic acid
CID 169468034
5-[4-(3-hydroxyprop-1-enyl)phenyl]furan-2-carboxylic acid
CID 169454193
2-methyl-2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]propanoic acid
CID 169468334
tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
CID 102440441
5-[4-(3-cyanoprop-1-enyl)phenyl]furan-2-carboxylic acid
CID 170800668
2-fluoro-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoic acid
CID 169467747
tert-butyl N-[3-(4-carbamoylphenyl)prop-2-enyl]carbamate
CID 169467603
tert-butyl N-[3-[4-(carbamothioylamino)phenyl]prop-2-enyl]carbamate
CID 169467841
tert-butyl N-[3-[4-(2-methoxyethoxy)phenyl]prop-2-enyl]carbamate
CID 169468047
1-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]cyclopropane-1-carboxylic acid
CID 169468275

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]furan-2-carboxylic acid (CID 169468485) is 5-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]furan-2-carboxylic acid is CC(C)(C)OC(=O)NCC=Cc1ccc(-c2ccc(C(=O)O)o2)cc1.
What is the InChIKey of 5-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]furan-2-carboxylic acid?
The InChIKey is IFGBNCPNRPNCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-19(2,3)25-18(23)20-12-4-5-13-6-8-14(9-7-13)15-10-11-16(24-15)17(21)22/h4-11H,12H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 5-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]furan-2-carboxylic acid?
5-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]furan-2-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]furan-2-carboxylic acid is sourced from PubChem (CID 169468485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).